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

C14H18F3NO — CID 102751806

IUPAC1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CCCN(C)C1
InChIInChI=1S/C14H18F3NO/c1-10-8-11(14(15,16)17)4-5-12(10)13(19)6-3-7-18(2)9-13/h4-5,8,19H,3,6-7,9H2,1-2H3
InChIKeyDIPWRVROTYUHCF-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.93
Rot. Bonds1

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

1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol (PubChem CID 102751806) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol
PubChem CID102751806
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CCCN(C)C1
InChIInChI=1S/C14H18F3NO/c1-10-8-11(14(15,16)17)4-5-12(10)13(19)6-3-7-18(2)9-13/h4-5,8,19H,3,6-7,9H2,1-2H3
InChIKeyDIPWRVROTYUHCF-UHFFFAOYSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 102751225
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3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
CID 103863134
3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 102751594
4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one
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8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
2-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 102751617
3-(4-bromo-3-chloro-2-fluorophenyl)-1-methylpiperidin-3-ol
CID 106761485
1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 59438498
2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
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3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol
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CID 79081119

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol?
The IUPAC name of 1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol (CID 102751806) is 1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol is Cc1cc(C(F)(F)F)ccc1C1(O)CCCN(C)C1.
What is the InChIKey of 1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol?
The InChIKey is DIPWRVROTYUHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10-8-11(14(15,16)17)4-5-12(10)13(19)6-3-7-18(2)9-13/h4-5,8,19H,3,6-7,9H2,1-2H3.
What are the key properties of 1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol?
1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol has a molecular weight of 273.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 102751806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).