1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol

C21H31F4N3O — CID 143598597

IUPAC1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CCN2CCN(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C21H31F4N3O/c1-16(29)15-27-6-3-17(4-7-27)2-5-26-8-10-28(11-9-26)20-13-18(21(23,24)25)12-19(22)14-20/h12-14,16-17,29H,2-11,15H2,1H3
InChIKeyFXBOHAUCTBFMMQ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol

1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol (PubChem CID 143598597) has the molecular formula C21H31F4N3O and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol
PubChem CID143598597
Molecular FormulaC21H31F4N3O
Molecular Weight417.49 g/mol
Exact Mass417.24
IUPAC Name1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CCN2CCN(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C21H31F4N3O/c1-16(29)15-27-6-3-17(4-7-27)2-5-26-8-10-28(11-9-26)20-13-18(21(23,24)25)12-19(22)14-20/h12-14,16-17,29H,2-11,15H2,1H3
InChIKeyFXBOHAUCTBFMMQ-UHFFFAOYSA-N
XLogP3.45
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-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

Related Compounds

4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 87585240
[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide
CID 154498491
2-[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanediamide
CID 91195120
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 67022301
2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 59774719
2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 58563433
3-[4-[2-[4-(5-ethoxy-4-methylpentyl)cyclohexyl]ethyl]piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 162584210
2-ethoxy-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 24780925
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
3-[4-[2-[4-(2-amino-4-ethoxy-3-oxobutyl)cyclohexyl]ethyl]piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 162552386
2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
CID 90323221

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol (CID 143598597) is 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol is CC(O)CN1CCC(CCN2CCN(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol?
The InChIKey is FXBOHAUCTBFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F4N3O/c1-16(29)15-27-6-3-17(4-7-27)2-5-26-8-10-28(11-9-26)20-13-18(21(23,24)25)12-19(22)14-20/h12-14,16-17,29H,2-11,15H2,1H3.
What are the key properties of 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol?
1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol has a molecular weight of 417.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 143598597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).