(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone

C14H19NO — CID 723102

IUPAC(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C14H19NO/c1-11-3-5-13(6-4-11)14(16)15-9-7-12(2)8-10-15/h3-6,12H,7-10H2,1-2H3
InChIKeyXJSQXVFZPMZDCQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.87
Rot. Bonds1

About (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone

(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 723102) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID723102
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C14H19NO/c1-11-3-5-13(6-4-11)14(16)15-9-7-12(2)8-10-15/h3-6,12H,7-10H2,1-2H3
InChIKeyXJSQXVFZPMZDCQ-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 82118297
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
2-(4-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179607
ethane;formic acid;(3-methylazetidin-1-yl)-(4-methylphenyl)methanone
CID 177155026
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 43920450
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 723102) is (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XJSQXVFZPMZDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-3-5-13(6-4-11)14(16)15-9-7-12(2)8-10-15/h3-6,12H,7-10H2,1-2H3.
What are the key properties of (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 723102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).