(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone

C17H25NO — CID 86977180

IUPAC(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NO/c1-13(2)12-15-4-6-16(7-5-15)17(19)18-10-8-14(3)9-11-18/h4-7,13-14H,8-12H2,1-3H3
InChIKeyJLRLZSRMIJPELW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.76
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone

(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 86977180) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID86977180
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NO/c1-13(2)12-15-4-6-16(7-5-15)17(19)18-10-8-14(3)9-11-18/h4-7,13-14H,8-12H2,1-3H3
InChIKeyJLRLZSRMIJPELW-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110806443
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
cyclobutyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110809297
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939
[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953089
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830
2-[4-(4-methylpiperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179238
1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
CID 137343890
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707770
(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 17312948

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone (CID 86977180) is (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is JLRLZSRMIJPELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)12-15-4-6-16(7-5-15)17(19)18-10-8-14(3)9-11-18/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone?
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 259.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 86977180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).