2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine

C16H26N2 — CID 62418483

IUPAC2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
SMILESCNCC(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-14(13-17-2)18-10-8-16(9-11-18)12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3
InChIKeyQLNZWNBAMIBERA-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.55
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine

2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine (PubChem CID 62418483) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
PubChem CID62418483
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
SMILESCNCC(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-14(13-17-2)18-10-8-16(9-11-18)12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3
InChIKeyQLNZWNBAMIBERA-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-benzylpiperidin-1-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

2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62418678
3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine
CID 79415056
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)pentan-3-amine
CID 43346352
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine (CID 62418483) is 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine is CNCC(C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is QLNZWNBAMIBERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(13-17-2)18-10-8-16(9-11-18)12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine?
2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62418483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).