methyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
Basic information
- CAS
1820575-25-4- Standard SMILES
COC(=O)N[C@@H]1CNCC[C@@H]1C- InChIKey
PKLKJOHNINGLAQ-NKWVEPMBSA-N- Molecular formula
- C8H16N2O2
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.12117775
Names & identifiers
- Preferred name
- methyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
- IUPAC
- methyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
- English name
- cis-3-Methoxycarbonylamino-4-methylpiperidine
- Molecular formula
- C8H16N2O2
- Molecular weight
- 172.23
Names & synonyms
methyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate694495-64-2CIS-3-METHOXYCARBONYLAMINO-4-METHYLPIPERIDINE1820575-25-4MFCD09030046cis-(4-methyl-piperidin-3-yl)-carbamic acid methyl ester(cis)-methyl N-4-methylpiperidin-3-yl]carbamaterel-[(3R,4R)-4-methyl-3-piperidinyl]-Carbamic acid, , methyl esterSCHEMBL6079275PKLKJOHNINGLAQ-NKWVEPMBSA-NDTXSID201381251AKOS016339842
Show more names
METHYL CIS-4-METHYLPIPERIDIN-3-YLCARBAMATErel-Methyl N-[(3R,4R)-4-methyl-3-piperidinyl]carbamateCarbamic acid, N-[(3R,4R)-4-methyl-3-piperidinyl]-, methyl ester, rel-
ME-0136DB-351158CS-0018107cis-3-[(Methoxycarbonyl)amino]-4-methylpiperidinemethyl N-[(3S,4S)-4-methyl-3-piperidyl]carbamateMethyl N-[(3S,4S)-4-methyl-3-piperidinyl]carbamate
Database identifiers
- CAS
1820575-25-4、694495-64-2- PubChem CID
- 11557366
- DTXSID
DTXSID201381251
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 277.924 · 277.924±29.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.059 · 1.059±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.127 · 12.127±0.40(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usesrel-Methyl N-[(3R,4R)-4-methyl-3-piperidinyl]carbamate can be used as inhibitors of the histone kinase PRK1 (PKN1).
Related reactions
2 records
Compound notes
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