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

C13H24F3N3O — CID 65447746

IUPAC1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCNCC1)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)11-2-1-5-19(8-11)10-12(20)9-18-6-3-17-4-7-18/h11-12,17,20H,1-10H2
InChIKeyMFGKKJWNXNVMOQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.53
Rot. Bonds4

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

1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol (PubChem CID 65447746) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
PubChem CID65447746
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCNCC1)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)11-2-1-5-19(8-11)10-12(20)9-18-6-3-17-4-7-18/h11-12,17,20H,1-10H2
InChIKeyMFGKKJWNXNVMOQ-UHFFFAOYSA-N
XLogP0.53
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol (CID 65447746) is 1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol is OC(CN1CCNCC1)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is MFGKKJWNXNVMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c14-13(15,16)11-2-1-5-19(8-11)10-12(20)9-18-6-3-17-4-7-18/h11-12,17,20H,1-10H2.
What are the key properties of 1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 295.35 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 65447746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).