(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C13H15F2NO2 — CID 43422289

IUPAC(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(CO)C1
InChIInChI=1S/C13H15F2NO2/c14-11-4-3-10(6-12(11)15)13(18)16-5-1-2-9(7-16)8-17/h3-4,6,9,17H,1-2,5,7-8H2
InChIKeyMQZGPHDVBNKHNW-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.81
Rot. Bonds2

About (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43422289) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43422289
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(CO)C1
InChIInChI=1S/C13H15F2NO2/c14-11-4-3-10(6-12(11)15)13(18)16-5-1-2-9(7-16)8-17/h3-4,6,9,17H,1-2,5,7-8H2
InChIKeyMQZGPHDVBNKHNW-UHFFFAOYSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110907234
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508
(3-bromo-4-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855477
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 86313906
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097835
[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186795
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43422289) is (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCCC(CO)C1.
What is the InChIKey of (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is MQZGPHDVBNKHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-11-4-3-10(6-12(11)15)13(18)16-5-1-2-9(7-16)8-17/h3-4,6,9,17H,1-2,5,7-8H2.
What are the key properties of (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 255.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43422289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).