[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol

C15H18F3N5O — CID 110899731

IUPAC[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)12-1-3-13(4-2-12)23-14(19-20-21-23)9-22-7-5-11(10-24)6-8-22/h1-4,11,24H,5-10H2
InChIKeyDNJYUBUCSTYFES-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.89
Rot. Bonds4

About [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol

[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol (PubChem CID 110899731) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol
PubChem CID110899731
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)12-1-3-13(4-2-12)23-14(19-20-21-23)9-22-7-5-11(10-24)6-8-22/h1-4,11,24H,5-10H2
InChIKeyDNJYUBUCSTYFES-UHFFFAOYSA-N
XLogP1.89
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol (CID 110899731) is [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is DNJYUBUCSTYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c16-15(17,18)12-1-3-13(4-2-12)23-14(19-20-21-23)9-22-7-5-11(10-24)6-8-22/h1-4,11,24H,5-10H2.
What are the key properties of [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol?
[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 341.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110899731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).