[2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone

C14H16F3NO2S — CID 43421260

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SC(F)(F)F)cc1)N1CCCCC1CO
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21-12-6-4-10(5-7-12)13(20)18-8-2-1-3-11(18)9-19/h4-7,11,19H,1-3,8-9H2
InChIKeyUKHOUGRPPRUIGJ-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.29
Rot. Bonds3

About [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone

[2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone (PubChem CID 43421260) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
PubChem CID43421260
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SC(F)(F)F)cc1)N1CCCCC1CO
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21-12-6-4-10(5-7-12)13(20)18-8-2-1-3-11(18)9-19/h4-7,11,19H,1-3,8-9H2
InChIKeyUKHOUGRPPRUIGJ-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[4-(trifluoromethylsulfanyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073371
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 67371292
[2-(hydroxymethyl)azepan-1-yl]-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 116636799
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
[2-(hydroxymethyl)azepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 116636276
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
[4-(3-aminoprop-1-ynyl)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636809
[2-(hydroxymethyl)piperidin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 46986550
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 43421306

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone (CID 43421260) is [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone is O=C(c1ccc(SC(F)(F)F)cc1)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The InChIKey is UKHOUGRPPRUIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c15-14(16,17)21-12-6-4-10(5-7-12)13(20)18-8-2-1-3-11(18)9-19/h4-7,11,19H,1-3,8-9H2.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone?
[2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone has a molecular weight of 319.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 43421260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).