3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine

C16H26N2 — CID 97167936

IUPAC3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
SMILESCNCCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-17-12-7-11-16-10-5-6-13-18(16)14-15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14H2,1H3/t16-/m1/s1
InChIKeyNXEBQDVZQJBUJX-MRXNPFEDSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds6

About 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine

3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine (PubChem CID 97167936) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
PubChem CID97167936
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
SMILESCNCCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-17-12-7-11-16-10-5-6-13-18(16)14-15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14H2,1H3/t16-/m1/s1
InChIKeyNXEBQDVZQJBUJX-MRXNPFEDSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine
CID 83982486
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
CID 167190709
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine (CID 97167936) is 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine is CNCCC[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine?
The InChIKey is NXEBQDVZQJBUJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2/c1-17-12-7-11-16-10-5-6-13-18(16)14-15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14H2,1H3/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine?
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 97167936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).