(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone

C14H18FNO — CID 62510549

IUPAC(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C14H18FNO/c1-10-5-7-16(8-6-10)14(17)12-9-11(2)3-4-13(12)15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyYLCFVRSITMUHID-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.01
Rot. Bonds1

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

(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 62510549) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID62510549
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C14H18FNO/c1-10-5-7-16(8-6-10)14(17)12-9-11(2)3-4-13(12)15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyYLCFVRSITMUHID-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
1-(2-fluoro-5-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038997
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 62045285
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464
(2-fluoro-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426729

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 62510549) is (2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone is Cc1ccc(F)c(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is YLCFVRSITMUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-5-7-16(8-6-10)14(17)12-9-11(2)3-4-13(12)15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 235.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62510549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).