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

C15H24ClN3O — CID 119925700

IUPAC3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
SMILESCC(N)C1CCCN(Cc2cccc(C(N)=O)c2)C1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11(16)14-6-3-7-18(10-14)9-12-4-2-5-13(8-12)15(17)19;/h2,4-5,8,11,14H,3,6-7,9-10,16H2,1H3,(H2,17,19);1H
InChIKeyFJZDVBVJYKIWBL-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.77
Rot. Bonds4

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

3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride (PubChem CID 119925700) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
PubChem CID119925700
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
SMILESCC(N)C1CCCN(Cc2cccc(C(N)=O)c2)C1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11(16)14-6-3-7-18(10-14)9-12-4-2-5-13(8-12)15(17)19;/h2,4-5,8,11,14H,3,6-7,9-10,16H2,1H3,(H2,17,19);1H
InChIKeyFJZDVBVJYKIWBL-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-3-methylbenzamide
CID 114484857
3-[(3-formylpiperidin-1-yl)methyl]benzamide
CID 62656741
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778
(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 94798301
2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982652
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
CID 119927575
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone
CID 45214467

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride (CID 119925700) is 3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride is CC(N)C1CCCN(Cc2cccc(C(N)=O)c2)C1.Cl.
What is the InChIKey of 3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
The InChIKey is FJZDVBVJYKIWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-11(16)14-6-3-7-18(10-14)9-12-4-2-5-13(8-12)15(17)19;/h2,4-5,8,11,14H,3,6-7,9-10,16H2,1H3,(H2,17,19);1H.
What are the key properties of 3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119925700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).