(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone

C14H19NO — CID 116569340

IUPAC(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
SMILESCc1ccc(C(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C14H19NO/c1-11-4-6-12(7-5-11)13(16)14(2)8-3-9-15-10-14/h4-7,15H,3,8-10H2,1-2H3
InChIKeySDPCVJKFRMSYSY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.57
Rot. Bonds2

About (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone

(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 116569340) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
PubChem CID116569340
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
SMILESCc1ccc(C(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C14H19NO/c1-11-4-6-12(7-5-11)13(16)14(2)8-3-9-15-10-14/h4-7,15H,3,8-10H2,1-2H3
InChIKeySDPCVJKFRMSYSY-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569568
(3-methylazetidin-3-yl)-(4-methylphenyl)methanone
CID 131000770
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone
CID 116569577
(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569556
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075
(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569471
(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone
CID 116569322
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
2-(2-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569463
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone (CID 116569340) is (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone is Cc1ccc(C(=O)C2(C)CCCNC2)cc1.
What is the InChIKey of (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is SDPCVJKFRMSYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-4-6-12(7-5-11)13(16)14(2)8-3-9-15-10-14/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone?
(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).