(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone

C20H30N2O — CID 40776068

IUPAC(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCCC1
InChIInChI=1S/C20H30N2O/c1-17-9-3-4-11-19(17)20(23)22-15-8-5-10-18(22)12-16-21-13-6-2-7-14-21/h3-4,9,11,18H,2,5-8,10,12-16H2,1H3/t18-/m1/s1
InChIKeyYZBKGMQNIOICHR-GOSISDBHSA-N
MW314.47 g/mol
LogP3.87
Rot. Bonds4

About (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone

(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 40776068) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID40776068
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCCC1
InChIInChI=1S/C20H30N2O/c1-17-9-3-4-11-19(17)20(23)22-15-8-5-10-18(22)12-16-21-13-6-2-7-14-21/h3-4,9,11,18H,2,5-8,10,12-16H2,1H3/t18-/m1/s1
InChIKeyYZBKGMQNIOICHR-GOSISDBHSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
[2-(bromomethyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 116639448
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
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
[(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)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone (CID 40776068) is (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCCC1.
What is the InChIKey of (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is YZBKGMQNIOICHR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N2O/c1-17-9-3-4-11-19(17)20(23)22-15-8-5-10-18(22)12-16-21-13-6-2-7-14-21/h3-4,9,11,18H,2,5-8,10,12-16H2,1H3/t18-/m1/s1.
What are the key properties of (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 314.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 40776068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).