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

C15H27F3N2O — CID 124622945

IUPAC(2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](N1CCN(C[C@@H](O)CC2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C15H27F3N2O/c1-12(15(16,17)18)20-8-6-19(7-9-20)11-14(21)10-13-4-2-3-5-13/h12-14,21H,2-11H2,1H3/t12-,14-/m0/s1
InChIKeyFQGJVPMBXHDIQP-JSGCOSHPSA-N
MW308.39 g/mol
LogP2.50
Rot. Bonds5

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

(2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol (PubChem CID 124622945) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is (2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol
PubChem CID124622945
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name(2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](N1CCN(C[C@@H](O)CC2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C15H27F3N2O/c1-12(15(16,17)18)20-8-6-19(7-9-20)11-14(21)10-13-4-2-3-5-13/h12-14,21H,2-11H2,1H3/t12-,14-/m0/s1
InChIKeyFQGJVPMBXHDIQP-JSGCOSHPSA-N
XLogP2.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol (CID 124622945) is (2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol is C[C@H](N1CCN(C[C@@H](O)CC2CCCC2)CC1)C(F)(F)F.
What is the InChIKey of (2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is FQGJVPMBXHDIQP-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-12(15(16,17)18)20-8-6-19(7-9-20)11-14(21)10-13-4-2-3-5-13/h12-14,21H,2-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of (2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol?
(2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 308.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopentyl-3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124622945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).