1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine

C16H25N3 — CID 121498693

IUPAC1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine
SMILESc1ccc(N2CCC(NC[C@@H]3CCCN3)CC2)cc1
InChIInChI=1S/C16H25N3/c1-2-6-16(7-3-1)19-11-8-14(9-12-19)18-13-15-5-4-10-17-15/h1-3,6-7,14-15,17-18H,4-5,8-13H2/t15-/m0/s1
InChIKeyYQWGECMKUSYKCS-HNNXBMFYSA-N
MW259.40 g/mol
LogP2.00
Rot. Bonds4

About 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine

1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine (PubChem CID 121498693) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine
PubChem CID121498693
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine
SMILESc1ccc(N2CCC(NC[C@@H]3CCCN3)CC2)cc1
InChIInChI=1S/C16H25N3/c1-2-6-16(7-3-1)19-11-8-14(9-12-19)18-13-15-5-4-10-17-15/h1-3,6-7,14-15,17-18H,4-5,8-13H2/t15-/m0/s1
InChIKeyYQWGECMKUSYKCS-HNNXBMFYSA-N
XLogP2.00
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]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-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083
N-but-2-ynyl-1-phenylpiperidin-4-amine
CID 103905898
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
1-[[(1-phenylpiperidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103783455
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850
cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone
CID 106637742
1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine
CID 106637748
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119902110

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine (CID 121498693) is 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine is c1ccc(N2CCC(NC[C@@H]3CCCN3)CC2)cc1.
What is the InChIKey of 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine?
The InChIKey is YQWGECMKUSYKCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-6-16(7-3-1)19-11-8-14(9-12-19)18-13-15-5-4-10-17-15/h1-3,6-7,14-15,17-18H,4-5,8-13H2/t15-/m0/s1.
What are the key properties of 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine?
1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine has a molecular weight of 259.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 121498693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).