2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol

C30H31F6NO — CID 58003530

IUPAC2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol
SMILESCCC(CO)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C30H31F6NO/c1-2-21(19-38)24-14-25(22-7-11-28(12-8-22)30(34,35)36)16-26(15-24)23-4-3-13-37(18-23)17-20-5-9-27(10-6-20)29(31,32)33/h5-12,14-16,21,23,38H,2-4,13,17-19H2,1H3
InChIKeyFXNJWAKAHBDSEC-UHFFFAOYSA-N
MW535.57 g/mol
LogP8.26
Rot. Bonds7

About 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol

2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol (PubChem CID 58003530) has the molecular formula C30H31F6NO and a molecular weight of 535.57 g/mol. Its IUPAC name is 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol.

Molecular Properties

Compound Name2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol
PubChem CID58003530
Molecular FormulaC30H31F6NO
Molecular Weight535.57 g/mol
Exact Mass535.23
IUPAC Name2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol
SMILESCCC(CO)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C30H31F6NO/c1-2-21(19-38)24-14-25(22-7-11-28(12-8-22)30(34,35)36)16-26(15-24)23-4-3-13-37(18-23)17-20-5-9-27(10-6-20)29(31,32)33/h5-12,14-16,21,23,38H,2-4,13,17-19H2,1H3
InChIKeyFXNJWAKAHBDSEC-UHFFFAOYSA-N
XLogP8.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.57
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-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 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol?
The IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol (CID 58003530) is 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol.
What is the SMILES notation for 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol?
The canonical SMILES for 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol is CCC(CO)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)c1.
What is the InChIKey of 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol?
The InChIKey is FXNJWAKAHBDSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F6NO/c1-2-21(19-38)24-14-25(22-7-11-28(12-8-22)30(34,35)36)16-26(15-24)23-4-3-13-37(18-23)17-20-5-9-27(10-6-20)29(31,32)33/h5-12,14-16,21,23,38H,2-4,13,17-19H2,1H3.
What are the key properties of 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol?
2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol has a molecular weight of 535.57 g/mol, XLogP of 8.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]phenyl]butan-1-ol is sourced from PubChem (CID 58003530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).