(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C21H28ClN3O — CID 119644674

IUPAC(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1.Cl
InChIInChI=1S/C21H27N3O.ClH/c1-2-22-16-17-12-14-24(15-13-17)21(25)19-10-6-7-11-20(19)23-18-8-4-3-5-9-18;/h3-11,17,22-23H,2,12-16H2,1H3;1H
InChIKeyYENIYGJWKMSJIT-UHFFFAOYSA-N
MW373.93 g/mol
LogP4.31
Rot. Bonds6

About (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119644674) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119644674
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1.Cl
InChIInChI=1S/C21H27N3O.ClH/c1-2-22-16-17-12-14-24(15-13-17)21(25)19-10-6-7-11-20(19)23-18-8-4-3-5-9-18;/h3-11,17,22-23H,2,12-16H2,1H3;1H
InChIKeyYENIYGJWKMSJIT-UHFFFAOYSA-N
XLogP4.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646387
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone;hydrochloride
CID 119545996
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
CID 39938111
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399

Frequently Asked Questions

What is the IUPAC name of (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119644674) is (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CCNCC1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1.Cl.
What is the InChIKey of (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is YENIYGJWKMSJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.ClH/c1-2-22-16-17-12-14-24(15-13-17)21(25)19-10-6-7-11-20(19)23-18-8-4-3-5-9-18;/h3-11,17,22-23H,2,12-16H2,1H3;1H.
What are the key properties of (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 373.93 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119644674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).