1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride

C14H21ClN2O — CID 119465087

IUPAC1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O.ClH/c15-10-13-7-4-8-16(11-13)14(17)9-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11,15H2;1H
InChIKeyZXIRDENCDDTFPR-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.85
Rot. Bonds3

About 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride

1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119465087) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119465087
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O.ClH/c15-10-13-7-4-8-16(11-13)14(17)9-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11,15H2;1H
InChIKeyZXIRDENCDDTFPR-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride 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-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119487183
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119464795
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-[3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119465007
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119469695
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 28706496
1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633659

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride (CID 119465087) is 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride is Cl.NCC1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is ZXIRDENCDDTFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c15-10-13-7-4-8-16(11-13)14(17)9-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11,15H2;1H.
What are the key properties of 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119465087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).