1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol

C14H25F3N2O — CID 103159987

IUPAC1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol
SMILESOC(CC1CCCC1)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-19-7-5-18(6-8-19)10-13(20)9-12-3-1-2-4-12/h12-13,20H,1-11H2
InChIKeyDYDRXNXBKXCTKV-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.11
Rot. Bonds5

About 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol

1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol (PubChem CID 103159987) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol
PubChem CID103159987
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol
SMILESOC(CC1CCCC1)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-19-7-5-18(6-8-19)10-13(20)9-12-3-1-2-4-12/h12-13,20H,1-11H2
InChIKeyDYDRXNXBKXCTKV-UHFFFAOYSA-N
XLogP2.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol (CID 103159987) is 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol is OC(CC1CCCC1)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is DYDRXNXBKXCTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)11-19-7-5-18(6-8-19)10-13(20)9-12-3-1-2-4-12/h12-13,20H,1-11H2.
What are the key properties of 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol?
1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 294.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 103159987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).