(3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

C14H22F3NO2 — CID 103900383

IUPAC(3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C(=O)C2CCCCC2C(F)(F)F)CC1O
InChIInChI=1S/C14H22F3NO2/c1-9-6-7-18(8-12(9)19)13(20)10-4-2-3-5-11(10)14(15,16)17/h9-12,19H,2-8H2,1H3
InChIKeyDHEOZNNEANHYJR-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.58
Rot. Bonds1

About (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

(3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 103900383) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID103900383
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name(3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C(=O)C2CCCCC2C(F)(F)F)CC1O
InChIInChI=1S/C14H22F3NO2/c1-9-6-7-18(8-12(9)19)13(20)10-4-2-3-5-11(10)14(15,16)17/h9-12,19H,2-8H2,1H3
InChIKeyDHEOZNNEANHYJR-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 103900383) is (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is CC1CCN(C(=O)C2CCCCC2C(F)(F)F)CC1O.
What is the InChIKey of (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is DHEOZNNEANHYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-9-6-7-18(8-12(9)19)13(20)10-4-2-3-5-11(10)14(15,16)17/h9-12,19H,2-8H2,1H3.
What are the key properties of (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 293.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 103900383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).