(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C14H18FNO2 — CID 62509275

IUPAC(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C14H18FNO2/c1-10-2-3-13(15)12(8-10)14(18)16-6-4-11(9-17)5-7-16/h2-3,8,11,17H,4-7,9H2,1H3
InChIKeyKCKLUQAZKJCJPE-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.98
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62509275) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62509275
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C14H18FNO2/c1-10-2-3-13(15)12(8-10)14(18)16-6-4-11(9-17)5-7-16/h2-3,8,11,17H,4-7,9H2,1H3
InChIKeyKCKLUQAZKJCJPE-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
1-(2-fluoro-5-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038997
(2-fluoro-5-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55083267
(2-amino-5-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112623690
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
(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-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 62509275) is (2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is Cc1ccc(F)c(C(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is KCKLUQAZKJCJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-2-3-13(15)12(8-10)14(18)16-6-4-11(9-17)5-7-16/h2-3,8,11,17H,4-7,9H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 251.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62509275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).