[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone

C19H28N2O — CID 119330882

IUPAC[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone
SMILESCc1ccc(C2C(C)CCCN2C(=O)C2CCNCC2)cc1
InChIInChI=1S/C19H28N2O/c1-14-5-7-16(8-6-14)18-15(2)4-3-13-21(18)19(22)17-9-11-20-12-10-17/h5-8,15,17-18,20H,3-4,9-13H2,1-2H3
InChIKeyUSDPFKWSIKIAIP-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.29
Rot. Bonds2

About [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone

[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 119330882) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone
PubChem CID119330882
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone
SMILESCc1ccc(C2C(C)CCCN2C(=O)C2CCNCC2)cc1
InChIInChI=1S/C19H28N2O/c1-14-5-7-16(8-6-14)18-15(2)4-3-13-21(18)19(22)17-9-11-20-12-10-17/h5-8,15,17-18,20H,3-4,9-13H2,1-2H3
InChIKeyUSDPFKWSIKIAIP-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119796649
2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 124595909
N-cyclopropyl-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
CID 71874842
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119299881
[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone
CID 119260965
(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979607
4-methyl-2-[2-[(2R,3S)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazol-3-one
CID 124615920
3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 154794005
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525
[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 59401908

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone (CID 119330882) is [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone is Cc1ccc(C2C(C)CCCN2C(=O)C2CCNCC2)cc1.
What is the InChIKey of [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is USDPFKWSIKIAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-5-7-16(8-6-14)18-15(2)4-3-13-21(18)19(22)17-9-11-20-12-10-17/h5-8,15,17-18,20H,3-4,9-13H2,1-2H3.
What are the key properties of [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone?
[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 119330882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).