benzyl 3-(propylamino)piperidine-1-carboxylate

C16H24N2O2 — CID 10039132

IUPACbenzyl 3-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-2-10-17-15-9-6-11-18(12-15)16(19)20-13-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyPBLJTJWYAAEWTB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds5

About benzyl 3-(propylamino)piperidine-1-carboxylate

benzyl 3-(propylamino)piperidine-1-carboxylate (PubChem CID 10039132) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl 3-(propylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(propylamino)piperidine-1-carboxylate
PubChem CID10039132
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebenzyl 3-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-2-10-17-15-9-6-11-18(12-15)16(19)20-13-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyPBLJTJWYAAEWTB-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl 3-(propylamino)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(propylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(propylamino)piperidine-1-carboxylate (CID 10039132) is benzyl 3-(propylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(propylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(propylamino)piperidine-1-carboxylate is CCCNC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(propylamino)piperidine-1-carboxylate?
The InChIKey is PBLJTJWYAAEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-10-17-15-9-6-11-18(12-15)16(19)20-13-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3.
What are the key properties of benzyl 3-(propylamino)piperidine-1-carboxylate?
benzyl 3-(propylamino)piperidine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(propylamino)piperidine-1-carboxylate is sourced from PubChem (CID 10039132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).