1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol

C18H26F3NO — CID 142475191

IUPAC1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol
SMILESCC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(O)CC1
InChIInChI=1S/C18H26F3NO/c1-13(22-10-8-16(23)9-11-22)12-17(2,3)14-4-6-15(7-5-14)18(19,20)21/h4-7,13,16,23H,8-12H2,1-3H3
InChIKeyYGYCHOKRCIZBEI-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.22
Rot. Bonds4

About 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol

1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol (PubChem CID 142475191) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol
PubChem CID142475191
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol
SMILESCC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(O)CC1
InChIInChI=1S/C18H26F3NO/c1-13(22-10-8-16(23)9-11-22)12-17(2,3)14-4-6-15(7-5-14)18(19,20)21/h4-7,13,16,23H,8-12H2,1-3H3
InChIKeyYGYCHOKRCIZBEI-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 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol (CID 142475191) is 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol is CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol?
The InChIKey is YGYCHOKRCIZBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-13(22-10-8-16(23)9-11-22)12-17(2,3)14-4-6-15(7-5-14)18(19,20)21/h4-7,13,16,23H,8-12H2,1-3H3.
What are the key properties of 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol?
1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]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 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-ol is sourced from PubChem (CID 142475191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).