[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride

C21H25ClN2O2 — CID 119592633

IUPAC[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-15(22)17-10-7-13-23(14-17)21(25)19-12-6-5-11-18(19)20(24)16-8-3-2-4-9-16;/h2-6,8-9,11-12,15,17H,7,10,13-14,22H2,1H3;1H
InChIKeyXLPDIFZLLHVSAF-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.54
Rot. Bonds4

About [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride

[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride (PubChem CID 119592633) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
PubChem CID119592633
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-15(22)17-10-7-13-23(14-17)21(25)19-12-6-5-11-18(19)20(24)16-8-3-2-4-9-16;/h2-6,8-9,11-12,15,17H,7,10,13-14,22H2,1H3;1H
InChIKeyXLPDIFZLLHVSAF-UHFFFAOYSA-N
XLogP3.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119595079
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
[3-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119595456
[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 110022807
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
[3-(1-aminoethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone;hydrochloride
CID 119595549
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CID 119596410
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513786
2-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]sulfanyl-N-propan-2-ylacetamide;hydrochloride
CID 119593229
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride?
The IUPAC name of [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride (CID 119592633) is [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride?
The canonical SMILES for [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride is CC(N)C1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1.Cl.
What is the InChIKey of [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride?
The InChIKey is XLPDIFZLLHVSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c1-15(22)17-10-7-13-23(14-17)21(25)19-12-6-5-11-18(19)20(24)16-8-3-2-4-9-16;/h2-6,8-9,11-12,15,17H,7,10,13-14,22H2,1H3;1H.
What are the key properties of [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride?
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 119592633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).