(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride

C20H25ClN2O2 — CID 119945201

IUPAC(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(CC2CCN(C(=O)c3ccccc3N)CC2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-24-17-8-6-15(7-9-17)14-16-10-12-22(13-11-16)20(23)18-4-2-3-5-19(18)21;/h2-9,16H,10-14,21H2,1H3;1H
InChIKeyXMGMXZVHMSPSAB-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.79
Rot. Bonds4

About (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride

(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 119945201) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride
PubChem CID119945201
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(CC2CCN(C(=O)c3ccccc3N)CC2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-24-17-8-6-15(7-9-17)14-16-10-12-22(13-11-16)20(23)18-4-2-3-5-19(18)21;/h2-9,16H,10-14,21H2,1H3;1H
InChIKeyXMGMXZVHMSPSAB-UHFFFAOYSA-N
XLogP3.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119945115
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
CID 46086832
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119765846
(2-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 119947007
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
(2-amino-5-methoxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61114234
2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119765862
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride (CID 119945201) is (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride is COc1ccc(CC2CCN(C(=O)c3ccccc3N)CC2)cc1.Cl.
What is the InChIKey of (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is XMGMXZVHMSPSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-24-17-8-6-15(7-9-17)14-16-10-12-22(13-11-16)20(23)18-4-2-3-5-19(18)21;/h2-9,16H,10-14,21H2,1H3;1H.
What are the key properties of (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119945201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).