4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol

C18H26F3NO — CID 142475220

IUPAC4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol
SMILESCC1(O)CCN(CCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3NO/c1-16(2,8-11-22-12-9-17(3,23)10-13-22)14-4-6-15(7-5-14)18(19,20)21/h4-7,23H,8-13H2,1-3H3
InChIKeyVZROKRRIXZCYQS-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.22
Rot. Bonds4

About 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol

4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol (PubChem CID 142475220) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol
PubChem CID142475220
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol
SMILESCC1(O)CCN(CCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3NO/c1-16(2,8-11-22-12-9-17(3,23)10-13-22)14-4-6-15(7-5-14)18(19,20)21/h4-7,23H,8-13H2,1-3H3
InChIKeyVZROKRRIXZCYQS-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol (CID 142475220) is 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol is CC1(O)CCN(CCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol?
The InChIKey is VZROKRRIXZCYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-16(2,8-11-22-12-9-17(3,23)10-13-22)14-4-6-15(7-5-14)18(19,20)21/h4-7,23H,8-13H2,1-3H3.
What are the key properties of 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol?
4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol has a molecular weight of 329.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol is sourced from PubChem (CID 142475220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).