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

C19H23ClN2O2 — CID 119467327

IUPAC[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H22N2O2.ClH/c20-14-16-8-4-5-12-21(16)19(22)15-7-6-11-18(13-15)23-17-9-2-1-3-10-17;/h1-3,6-7,9-11,13,16H,4-5,8,12,14,20H2;1H
InChIKeyBQLOJHPKGQIEHA-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.85
Rot. Bonds4

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

[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride (PubChem CID 119467327) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
PubChem CID119467327
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H22N2O2.ClH/c20-14-16-8-4-5-12-21(16)19(22)15-7-6-11-18(13-15)23-17-9-2-1-3-10-17;/h1-3,6-7,9-11,13,16H,4-5,8,12,14,20H2;1H
InChIKeyBQLOJHPKGQIEHA-UHFFFAOYSA-N
XLogP3.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;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

[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 125135136
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55241766
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)piperidin-1-yl]-[3-(benzenesulfonylmethyl)phenyl]methanone;hydrochloride
CID 119469703
3-amino-N-[[1-(3-pyridin-4-yloxybenzoyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580136
[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone
CID 71730904
[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 95875592
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride (CID 119467327) is [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride is Cl.NCC1CCCCN1C(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride?
The InChIKey is BQLOJHPKGQIEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c20-14-16-8-4-5-12-21(16)19(22)15-7-6-11-18(13-15)23-17-9-2-1-3-10-17;/h1-3,6-7,9-11,13,16H,4-5,8,12,14,20H2;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119467327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).