4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol

C20H21ClF3NO — CID 70685046

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccccc1CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21ClF3NO/c1-14-4-2-3-5-15(14)13-25-10-8-19(26,9-11-25)16-6-7-18(21)17(12-16)20(22,23)24/h2-7,12,26H,8-11,13H2,1H3
InChIKeyJKBICJASMKLUGF-UHFFFAOYSA-N
MW383.84 g/mol
LogP5.15
Rot. Bonds3

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol (PubChem CID 70685046) has the molecular formula C20H21ClF3NO and a molecular weight of 383.84 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol
PubChem CID70685046
Molecular FormulaC20H21ClF3NO
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccccc1CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21ClF3NO/c1-14-4-2-3-5-15(14)13-25-10-8-19(26,9-11-25)16-6-7-18(21)17(12-16)20(22,23)24/h2-7,12,26H,8-11,13H2,1H3
InChIKeyJKBICJASMKLUGF-UHFFFAOYSA-N
XLogP5.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.84
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol (CID 70685046) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol is Cc1ccccc1CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol?
The InChIKey is JKBICJASMKLUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3NO/c1-14-4-2-3-5-15(14)13-25-10-8-19(26,9-11-25)16-6-7-18(21)17(12-16)20(22,23)24/h2-7,12,26H,8-11,13H2,1H3.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol?
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol has a molecular weight of 383.84 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 70685046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).