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

C19H28F3NO — CID 155138855

IUPAC[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol
SMILESCC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(CO)CC1
InChIInChI=1S/C19H28F3NO/c1-14(23-10-8-15(13-24)9-11-23)12-18(2,3)16-4-6-17(7-5-16)19(20,21)22/h4-7,14-15,24H,8-13H2,1-3H3
InChIKeyMOQVTYRSUSXVCJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.47
Rot. Bonds5

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

[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol (PubChem CID 155138855) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is [1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol
PubChem CID155138855
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol
SMILESCC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(CO)CC1
InChIInChI=1S/C19H28F3NO/c1-14(23-10-8-15(13-24)9-11-23)12-18(2,3)16-4-6-17(7-5-16)19(20,21)22/h4-7,14-15,24H,8-13H2,1-3H3
InChIKeyMOQVTYRSUSXVCJ-UHFFFAOYSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.47
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-yl]methanol?
The IUPAC name of [1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol (CID 155138855) is [1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol is CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(CO)CC1.
What is the InChIKey of [1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol?
The InChIKey is MOQVTYRSUSXVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-14(23-10-8-15(13-24)9-11-23)12-18(2,3)16-4-6-17(7-5-16)19(20,21)22/h4-7,14-15,24H,8-13H2,1-3H3.
What are the key properties of [1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol?
[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]methanol has a molecular weight of 343.43 g/mol, XLogP of 4.47, 5 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-yl]methanol is sourced from PubChem (CID 155138855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).