1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine

C21H28N2 — CID 1378352

IUPAC1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
SMILESC[C@H](CNC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2/c1-18(20-10-6-3-7-11-20)16-22-21-12-14-23(15-13-21)17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3/t18-/m1/s1
InChIKeyGBUUCRUNSONKDL-GOSISDBHSA-N
MW308.47 g/mol
LogP4.04
Rot. Bonds6

About 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine

1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine (PubChem CID 1378352) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
PubChem CID1378352
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
SMILESC[C@H](CNC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2/c1-18(20-10-6-3-7-11-20)16-22-21-12-14-23(15-13-21)17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3/t18-/m1/s1
InChIKeyGBUUCRUNSONKDL-GOSISDBHSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-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

N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
2-[(1-benzylpiperidin-4-yl)amino]-1-cyclopropylethanol
CID 63294565
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine (CID 1378352) is 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine is C[C@H](CNC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine?
The InChIKey is GBUUCRUNSONKDL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N2/c1-18(20-10-6-3-7-11-20)16-22-21-12-14-23(15-13-21)17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3/t18-/m1/s1.
What are the key properties of 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine?
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine has a molecular weight of 308.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine is sourced from PubChem (CID 1378352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).