(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone

C16H18F3NO2 — CID 110883937

IUPAC(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1ccccc1C(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)14-4-2-1-3-11(14)12-9-13(12)15(22)20-7-5-10(21)6-8-20/h1-4,10,12-13,21H,5-9H2
InChIKeySMWARPZRNABPIC-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.79
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone

(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 110883937) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID110883937
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1ccccc1C(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)14-4-2-1-3-11(14)12-9-13(12)15(22)20-7-5-10(21)6-8-20/h1-4,10,12-13,21H,5-9H2
InChIKeySMWARPZRNABPIC-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86914418
4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119250918
(4-benzylpiperazin-1-yl)-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 97262774
2-[methyl-[(4R)-1-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]amino]acetic acid
CID 129429825
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone
CID 134042210
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 56809621
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 134009822
[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124571143
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
(2-amino-2-oxoethyl) 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71900564

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 110883937) is (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is O=C(C1CC1c1ccccc1C(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is SMWARPZRNABPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c17-16(18,19)14-4-2-1-3-11(14)12-9-13(12)15(22)20-7-5-10(21)6-8-20/h1-4,10,12-13,21H,5-9H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 313.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 110883937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).