[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

C14H18F3NO — CID 2842920

IUPAC[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-5-3-11(4-6-13)8-18-7-1-2-12(9-18)10-19/h3-6,12,19H,1-2,7-10H2
InChIKeyCTBXWKGZTPQJPA-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.91
Rot. Bonds3

About [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 2842920) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
PubChem CID2842920
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-5-3-11(4-6-13)8-18-7-1-2-12(9-18)10-19/h3-6,12,19H,1-2,7-10H2
InChIKeyCTBXWKGZTPQJPA-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (CID 2842920) is [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is CTBXWKGZTPQJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)13-5-3-11(4-6-13)8-18-7-1-2-12(9-18)10-19/h3-6,12,19H,1-2,7-10H2.
What are the key properties of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 273.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 2842920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).