3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride

C15H24ClN3O — CID 119911778

IUPAC3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
SMILESCC(N)C1CCCCN1Cc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11(16)14-7-2-3-8-18(14)10-12-5-4-6-13(9-12)15(17)19;/h4-6,9,11,14H,2-3,7-8,10,16H2,1H3,(H2,17,19);1H
InChIKeyVJQZGNNGIXAVTK-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.91
Rot. Bonds4

About 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride

3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride (PubChem CID 119911778) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
PubChem CID119911778
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
SMILESCC(N)C1CCCCN1Cc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11(16)14-7-2-3-8-18(14)10-12-5-4-6-13(9-12)15(17)19;/h4-6,9,11,14H,2-3,7-8,10,16H2,1H3,(H2,17,19);1H
InChIKeyVJQZGNNGIXAVTK-UHFFFAOYSA-N
XLogP1.91
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzonitrile
CID 63254536
N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 120897030
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
methyl 3-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]benzoate
CID 111333469
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
3-[[(2S)-2-[(1R,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129483827
3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
CID 119437149

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride (CID 119911778) is 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride is CC(N)C1CCCCN1Cc1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
The InChIKey is VJQZGNNGIXAVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-11(16)14-7-2-3-8-18(14)10-12-5-4-6-13(9-12)15(17)19;/h4-6,9,11,14H,2-3,7-8,10,16H2,1H3,(H2,17,19);1H.
What are the key properties of 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119911778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).