1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine

C23H24F6N2O — CID 86647190

IUPAC1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine
SMILESC/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCNCC1
InChIInChI=1S/C23H24F6N2O/c1-2-6-18-15-19(9-10-20(18)31-13-11-30-12-14-31)21(22(24,25)26,23(27,28)29)32-16-17-7-4-3-5-8-17/h2-10,15,30H,11-14,16H2,1H3/b6-2-
InChIKeyLRBXXTCOIWZJHJ-KXFIGUGUSA-N
MW458.45 g/mol
LogP5.67
Rot. Bonds6

About 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine

1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine (PubChem CID 86647190) has the molecular formula C23H24F6N2O and a molecular weight of 458.45 g/mol. Its IUPAC name is 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine
PubChem CID86647190
Molecular FormulaC23H24F6N2O
Molecular Weight458.45 g/mol
Exact Mass458.18
IUPAC Name1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine
SMILESC/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCNCC1
InChIInChI=1S/C23H24F6N2O/c1-2-6-18-15-19(9-10-20(18)31-13-11-30-12-14-31)21(22(24,25)26,23(27,28)29)32-16-17-7-4-3-5-8-17/h2-10,15,30H,11-14,16H2,1H3/b6-2-
InChIKeyLRBXXTCOIWZJHJ-KXFIGUGUSA-N
XLogP5.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine 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-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine?
The IUPAC name of 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine (CID 86647190) is 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine.
What is the SMILES notation for 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine?
The canonical SMILES for 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine is C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCNCC1.
What is the InChIKey of 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine?
The InChIKey is LRBXXTCOIWZJHJ-KXFIGUGUSA-N. The full InChI is InChI=1S/C23H24F6N2O/c1-2-6-18-15-19(9-10-20(18)31-13-11-30-12-14-31)21(22(24,25)26,23(27,28)29)32-16-17-7-4-3-5-8-17/h2-10,15,30H,11-14,16H2,1H3/b6-2-.
What are the key properties of 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine?
1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine has a molecular weight of 458.45 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine is sourced from PubChem (CID 86647190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).