1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol

C9H16F3NO — CID 129119612

IUPAC1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol
SMILESCC(C)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2)13-5-3-4-8(14,6-13)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyKAHJZYMASQNRNL-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.78
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol

1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 129119612) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol
PubChem CID129119612
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol
SMILESCC(C)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2)13-5-3-4-8(14,6-13)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyKAHJZYMASQNRNL-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol (CID 129119612) is 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol is CC(C)N1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is KAHJZYMASQNRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)13-5-3-4-8(14,6-13)9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol?
1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 211.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 129119612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).