4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride

C14H20ClN3 — CID 66569597

IUPAC4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(CN2CCCC(CN)C2)cc1
InChIInChI=1S/C14H19N3.ClH/c15-8-12-3-5-13(6-4-12)10-17-7-1-2-14(9-16)11-17;/h3-6,14H,1-2,7,9-11,16H2;1H
InChIKeyDUPZAPMQMOJGBE-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.15
Rot. Bonds3

About 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride

4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride (PubChem CID 66569597) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride
PubChem CID66569597
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(CN2CCCC(CN)C2)cc1
InChIInChI=1S/C14H19N3.ClH/c15-8-12-3-5-13(6-4-12)10-17-7-1-2-14(9-16)11-17;/h3-6,14H,1-2,7,9-11,16H2;1H
InChIKeyDUPZAPMQMOJGBE-UHFFFAOYSA-N
XLogP2.15
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311190
4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
CID 24904949
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 113235336
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
4-[[3-[(tert-butylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 63847968
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624
[(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
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)benzonitrile
CID 25248763
(1-benzylazepan-3-yl)methanamine
CID 15718476
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
CID 54793813

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride?
The IUPAC name of 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride (CID 66569597) is 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride?
The canonical SMILES for 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride is Cl.N#Cc1ccc(CN2CCCC(CN)C2)cc1.
What is the InChIKey of 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride?
The InChIKey is DUPZAPMQMOJGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c15-8-12-3-5-13(6-4-12)10-17-7-1-2-14(9-16)11-17;/h3-6,14H,1-2,7,9-11,16H2;1H.
What are the key properties of 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride?
4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 66569597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).