[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

C15H24F3NO2 — CID 106834342

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H24F3NO2/c1-10(20)11-6-8-19(9-7-11)14(21)12-2-4-13(5-3-12)15(16,17)18/h10-13,20H,2-9H2,1H3
InChIKeyHTDIZUMVRIVADA-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.97
Rot. Bonds2

About [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 106834342) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID106834342
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H24F3NO2/c1-10(20)11-6-8-19(9-7-11)14(21)12-2-4-13(5-3-12)15(16,17)18/h10-13,20H,2-9H2,1H3
InChIKeyHTDIZUMVRIVADA-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone with MolForge

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Related Compounds

(4-Ethylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 121516217
1-[3-(Difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 126716199
1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 139513592
[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 155721036
[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
(4,4-Difluorocyclohexyl)methanol;1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 164604891
[4-(2-Hydroxybutyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 56781868
4-Hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 79192411
4-Hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 79205205
[4-(Hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81646522
[3-(2-Hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81660790
[2-(2-Hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81929144

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (CID 106834342) is [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is CC(O)C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is HTDIZUMVRIVADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c1-10(20)11-6-8-19(9-7-11)14(21)12-2-4-13(5-3-12)15(16,17)18/h10-13,20H,2-9H2,1H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 106834342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).