[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine

C15H22N2 — CID 129493697

IUPAC[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
SMILESC=Cc1ccc(CN2CCC[C@@H](CN)C2)cc1
InChIInChI=1S/C15H22N2/c1-2-13-5-7-14(8-6-13)11-17-9-3-4-15(10-16)12-17/h2,5-8,15H,1,3-4,9-12,16H2/t15-/m0/s1
InChIKeyNYQCPQNYSAOCIV-HNNXBMFYSA-N
MW230.36 g/mol
LogP2.50
Rot. Bonds4

About [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine

[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 129493697) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
PubChem CID129493697
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
SMILESC=Cc1ccc(CN2CCC[C@@H](CN)C2)cc1
InChIInChI=1S/C15H22N2/c1-2-13-5-7-14(8-6-13)11-17-9-3-4-15(10-16)12-17/h2,5-8,15H,1,3-4,9-12,16H2/t15-/m0/s1
InChIKeyNYQCPQNYSAOCIV-HNNXBMFYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine 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

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624
4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride
CID 66569597
(1-benzylazepan-3-yl)methanamine
CID 15718476
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
CID 54793813
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089
[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 97165519
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine (CID 129493697) is [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine is C=Cc1ccc(CN2CCC[C@@H](CN)C2)cc1.
What is the InChIKey of [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is NYQCPQNYSAOCIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-13-5-7-14(8-6-13)11-17-9-3-4-15(10-16)12-17/h2,5-8,15H,1,3-4,9-12,16H2/t15-/m0/s1.
What are the key properties of [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine?
[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 230.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 129493697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).