(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone

C13H16FNO2 — CID 40620751

IUPAC(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC[C@H]1CO
InChIInChI=1S/C13H16FNO2/c14-11-6-4-10(5-7-11)13(17)15-8-2-1-3-12(15)9-16/h4-7,12,16H,1-3,8-9H2/t12-/m0/s1
InChIKeyJYKYVXVOEXRSGM-LBPRGKRZSA-N
MW237.27 g/mol
LogP1.81
Rot. Bonds2

About (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone

(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 40620751) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID40620751
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC[C@H]1CO
InChIInChI=1S/C13H16FNO2/c14-11-6-4-10(5-7-11)13(17)15-8-2-1-3-12(15)9-16/h4-7,12,16H,1-3,8-9H2/t12-/m0/s1
InChIKeyJYKYVXVOEXRSGM-LBPRGKRZSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(bromomethyl)azepan-1-yl]-(4-fluorophenyl)methanone
CID 116639648
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
[2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 43421260
[2-(hydroxymethyl)azepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 116636276
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 72841086
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
[2-(hydroxymethyl)azepan-1-yl]-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 116636799
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone (CID 40620751) is (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC[C@H]1CO.
What is the InChIKey of (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is JYKYVXVOEXRSGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-6-4-10(5-7-11)13(17)15-8-2-1-3-12(15)9-16/h4-7,12,16H,1-3,8-9H2/t12-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 237.27 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 (4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 40620751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).