1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol

C12H20F3NO — CID 64756508

IUPAC1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCCCN2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-4-6-11(17,7-5-9)10-3-1-2-8-16-10/h9-10,16-17H,1-8H2
InChIKeyFLXVUZDKMGZFLX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.61
Rot. Bonds1

About 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol

1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756508) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756508
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCCCN2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-4-6-11(17,7-5-9)10-3-1-2-8-16-10/h9-10,16-17H,1-8H2
InChIKeyFLXVUZDKMGZFLX-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756508) is 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol is OC1(C2CCCCN2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is FLXVUZDKMGZFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-4-6-11(17,7-5-9)10-3-1-2-8-16-10/h9-10,16-17H,1-8H2.
What are the key properties of 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).