Basic information
- CAS
101491-79-6- Standard SMILES
CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)CC1- InChIKey
RQDLDNLBJUDOFV-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.16812795
Names & identifiers
- Preferred name
- Carbamic acid, diphenyl-, 1-methyl-4-piperidyl ester
- IUPAC
- (1-methylpiperidin-4-yl) N,N-diphenylcarbamate
- English name
- Carbamic acid, diphenyl-, 1-methyl-4-piperidinyl ester (9CI)
- Molecular formula
- C19H22N2O2
- Molecular weight
- 310.39
Names & synonyms
101491-79-61-Methyl-4-piperidyl diphenylcarbamateCARBAMIC ACID, DIPHENYL-, 1-METHYL-4-PIPERIDYL ESTERDTXSID10143957RefChem:332420DTXCID6066448mAChR antagonist 11-methylpiperidin-4-yl diphenylcarbamateCHEMBL5639592NSC167864orb1942878MFCD01738305
Show more names
NSC-167864DA-65192HY-155367CS-0901318H39416T81888Carbamic acid, diphenyl-, 1-methyl-4-piperidinyl ester (9CI)
Database identifiers
- CAS
101491-79-6- PubChem CID
- 58459
- DTXSID
DTXSID10143957- ChEMBL
CHEMBL5639592- Nikkaji
- J67.592J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 437 · 437.0±38.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 7.84 · 7.84±0.10(Predicted)
- color
- Off-white to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesmAChR antagonist 1 (compound 4a) is a mAChR antagonist with Ki values of 255 nM, 121 nM, 158 nM, and 255 nM for M1, M3, M4, and M5 subtype, respectively[1].
Suppliers5 total
武汉誉祥医药科技有限公司13971275651 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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