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

C13H19ClN2 — CID 18426222

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2/c14-13-5-3-11(4-6-13)9-16-7-1-2-12(8-15)10-16/h3-6,12H,1-2,7-10,15H2
InChIKeyVTEAVAKPDJFANZ-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.51
Rot. Bonds3

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

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 18426222) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
PubChem CID18426222
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2/c14-13-5-3-11(4-6-13)9-16-7-1-2-12(8-15)10-16/h3-6,12H,1-2,7-10,15H2
InChIKeyVTEAVAKPDJFANZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
CID 129493697
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
[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
[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915534
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
CID 54793813
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 97165519

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine (CID 18426222) is [1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine is NCC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is VTEAVAKPDJFANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-13-5-3-11(4-6-13)9-16-7-1-2-12(8-15)10-16/h3-6,12H,1-2,7-10,15H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine?
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 18426222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).