[1-(2-Amino-ethyl)-piperidin-3-yl]-methyl-carbamic acid benzyl ester
Basic information
- CAS
1353953-57-7- Standard SMILES
CN(C(=O)OCc1ccccc1)C1CCCN(CCN)C1- InChIKey
UTJVYNHSZGVMRD-UHFFFAOYSA-N- Molecular formula
- C16H25N3O2
- Average molar mass
- 291.39 g/mol
- Monoisotopic mass
- 291.19467705
Names & identifiers
- Preferred name
- [1-(2-Amino-ethyl)-piperidin-3-yl]-methyl-carbamic acid benzyl ester
- IUPAC
- benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-methylcarbamate
- English name
- [1-(2-AMino-ethyl)-piperidin-3-ylMethyl]-carbaMic acid benzyl ester
- Molecular formula
- C16H25N3O2
- Molecular weight
- 291.39
Names & synonyms
1353953-57-7[1-(2-Amino-ethyl)-piperidin-3-yl]-methyl-carbamic acid benzyl esterBenzyl (1-(2-aminoethyl)piperidin-3-yl)(methyl)carbamatebenzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-methylcarbamateDTXSID301136394DB-249014Benzyl [1-(2-aminoethyl)piperidin-3-yl]methylcarbamateBenzyl(1-(2-aminoethyl)piperidin-3-yl)(methyl)carbamatebenzyl N-[1-(2-aminoethyl)-3-piperidyl]-N-methyl-carbamateCarbamic acid, N-[1-(2-aminoethyl)-3-piperidinyl]-N-methyl-, phenylmethyl ester[1-(2-AMino-ethyl)-piperidin-3-ylMethyl]-carbaMic acid benzyl ester
Database identifiers
- CAS
1353953-57-7- PubChem CID
- 66566552
- DTXSID
DTXSID301136394
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 423.3 · 423.3±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 10.21 · 10.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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