[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride

C21H27ClN2O2 — CID 119435796

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc(COc2ccccc2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16(22)20-9-5-6-14-23(20)21(24)18-12-10-17(11-13-18)15-25-19-7-3-2-4-8-19;/h2-4,7-8,10-13,16,20H,5-6,9,14-15,22H2,1H3;1H
InChIKeySTVQYJQQBHSHMD-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.03
Rot. Bonds5

About [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride (PubChem CID 119435796) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
PubChem CID119435796
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc(COc2ccccc2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16(22)20-9-5-6-14-23(20)21(24)18-12-10-17(11-13-18)15-25-19-7-3-2-4-8-19;/h2-4,7-8,10-13,16,20H,5-6,9,14-15,22H2,1H3;1H
InChIKeySTVQYJQQBHSHMD-UHFFFAOYSA-N
XLogP4.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 119435721
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
(2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 18635784
[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119436639
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674
[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone
CID 90696413

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride (CID 119435796) is [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride is CC(N)C1CCCCN1C(=O)c1ccc(COc2ccccc2)cc1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride?
The InChIKey is STVQYJQQBHSHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-16(22)20-9-5-6-14-23(20)21(24)18-12-10-17(11-13-18)15-25-19-7-3-2-4-8-19;/h2-4,7-8,10-13,16,20H,5-6,9,14-15,22H2,1H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119435796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).