3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine

C23H32N2O — CID 7337527

IUPAC3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
SMILESC[C@@H]1CCCCN1CCCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H32N2O/c1-20-8-5-6-16-25(20)17-7-15-24-18-21-11-13-23(14-12-21)26-19-22-9-3-2-4-10-22/h2-4,9-14,20,24H,5-8,15-19H2,1H3/t20-/m1/s1
InChIKeyNEWLKLPQYBDCRL-HXUWFJFHSA-N
MW352.52 g/mol
LogP4.62
Rot. Bonds9

About 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine

3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine (PubChem CID 7337527) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
PubChem CID7337527
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
SMILESC[C@@H]1CCCCN1CCCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H32N2O/c1-20-8-5-6-16-25(20)17-7-15-24-18-21-11-13-23(14-12-21)26-19-22-9-3-2-4-10-22/h2-4,9-14,20,24H,5-8,15-19H2,1H3/t20-/m1/s1
InChIKeyNEWLKLPQYBDCRL-HXUWFJFHSA-N
XLogP4.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-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-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 115523425
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 55182404
N-[(3,4-difluorophenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43178246
2-amino-4-methyl-N-[1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]pentanamide
CID 70061011
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
N-[2-(4-bromophenoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 60696322
N-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43224374
2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 43178235
N-[(1-ethylpyrrol-3-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 66397309
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine (CID 7337527) is 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine is C[C@@H]1CCCCN1CCCNCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
The InChIKey is NEWLKLPQYBDCRL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32N2O/c1-20-8-5-6-16-25(20)17-7-15-24-18-21-11-13-23(14-12-21)26-19-22-9-3-2-4-10-22/h2-4,9-14,20,24H,5-8,15-19H2,1H3/t20-/m1/s1.
What are the key properties of 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine has a molecular weight of 352.52 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 7337527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).