(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride

C20H31ClN2O — CID 52984382

IUPAC(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1cccc(C(=O)N2CCCCC2CCN2CCCCC2)c1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-17-8-7-9-18(16-17)20(23)22-14-6-3-10-19(22)11-15-21-12-4-2-5-13-21;/h7-9,16,19H,2-6,10-15H2,1H3;1H
InChIKeyIACIZWBHMJTCGY-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.29
Rot. Bonds4

About (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride

(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 52984382) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID52984382
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1cccc(C(=O)N2CCCCC2CCN2CCCCC2)c1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-17-8-7-9-18(16-17)20(23)22-14-6-3-10-19(22)11-15-21-12-4-2-5-13-21;/h7-9,16,19H,2-6,10-15H2,1H3;1H
InChIKeyIACIZWBHMJTCGY-UHFFFAOYSA-N
XLogP4.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 55187614
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone
CID 40776096
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride (CID 52984382) is (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride is Cc1cccc(C(=O)N2CCCCC2CCN2CCCCC2)c1.Cl.
What is the InChIKey of (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is IACIZWBHMJTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-17-8-7-9-18(16-17)20(23)22-14-6-3-10-19(22)11-15-21-12-4-2-5-13-21;/h7-9,16,19H,2-6,10-15H2,1H3;1H.
What are the key properties of (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride?
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 52984382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).