1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol

C14H24F3NO — CID 103160088

IUPAC1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESOC(CC1CCCC1)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)12-5-7-18(8-6-12)10-13(19)9-11-3-1-2-4-11/h11-13,19H,1-10H2
InChIKeyGKUYNUMUWCGEDC-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.20
Rot. Bonds4

About 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol

1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol (PubChem CID 103160088) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
PubChem CID103160088
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESOC(CC1CCCC1)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)12-5-7-18(8-6-12)10-13(19)9-11-3-1-2-4-11/h11-13,19H,1-10H2
InChIKeyGKUYNUMUWCGEDC-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol (CID 103160088) is 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol is OC(CC1CCCC1)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is GKUYNUMUWCGEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)12-5-7-18(8-6-12)10-13(19)9-11-3-1-2-4-11/h11-13,19H,1-10H2.
What are the key properties of 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 279.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 103160088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).