(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone

C14H17F2NO — CID 593464

IUPAC(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(F)c(F)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H17F2NO/c1-9-3-5-17(6-4-9)14(18)11-8-13(16)12(15)7-10(11)2/h7-9H,3-6H2,1-2H3
InChIKeyUJVSMYGMJLJCRF-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.15
Rot. Bonds1

About (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone

(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 593464) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID593464
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(F)c(F)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H17F2NO/c1-9-3-5-17(6-4-9)14(18)11-8-13(16)12(15)7-10(11)2/h7-9H,3-6H2,1-2H3
InChIKeyUJVSMYGMJLJCRF-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(2-amino-4-bromo-5-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 114278145
(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 738722
(2,5-difluoro-4-methylphenyl)-[(1S,7R)-7-methyl-1-oxo-1,4-thiazepan-4-yl]methanone
CID 100636365
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 81454088
[1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 52718033
(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 110691230
(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741

Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 593464) is (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone is Cc1cc(F)c(F)cc1C(=O)N1CCC(C)CC1.
What is the InChIKey of (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UJVSMYGMJLJCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-9-3-5-17(6-4-9)14(18)11-8-13(16)12(15)7-10(11)2/h7-9H,3-6H2,1-2H3.
What are the key properties of (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 253.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 593464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).