[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

C11H13F3N2O2 — CID 113341756

IUPAC[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10(18)3-6-16(7-4-10)9(17)8-2-1-5-15-8/h1-2,5,15,18H,3-4,6-7H2
InChIKeyYCSBMUWWCSUOKL-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.54
Rot. Bonds1

About [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 113341756) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID113341756
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10(18)3-6-16(7-4-10)9(17)8-2-1-5-15-8/h1-2,5,15,18H,3-4,6-7H2
InChIKeyYCSBMUWWCSUOKL-UHFFFAOYSA-N
XLogP1.54
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone
CID 115276474
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61128995
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
3,3-dimethyl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110803998
(4-fluorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808135
(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 110016650
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197
[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]-(1H-indazol-3-yl)methanone
CID 131963462
4,5-dimethyl-9-(1H-pyrrole-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131654568

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 113341756) is [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is YCSBMUWWCSUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)10(18)3-6-16(7-4-10)9(17)8-2-1-5-15-8/h1-2,5,15,18H,3-4,6-7H2.
What are the key properties of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 262.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 113341756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).