[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol

C22H26N4O — CID 74234693

IUPAC[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N4O/c1-25-21(16-27)23-24-22(25)20-11-13-26(14-12-20)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20,27H,11-16H2,1H3
InChIKeyUZWOMVDQIQPJEA-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.35
Rot. Bonds5

About [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol

[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol (PubChem CID 74234693) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
PubChem CID74234693
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N4O/c1-25-21(16-27)23-24-22(25)20-11-13-26(14-12-20)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20,27H,11-16H2,1H3
InChIKeyUZWOMVDQIQPJEA-UHFFFAOYSA-N
XLogP3.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-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

Related Compounds

1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70740331
[5-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 131914559
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
1-[[4-methyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70751821
[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 91834200
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
4-[[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]benzonitrile
CID 72878939
[4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009006
1-[(2-methylphenyl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72928742
(3R)-1-[(4-methylphenyl)methyl]-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95874323
1-[(2-ethylphenyl)methyl]-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70751340
1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72894529

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol (CID 74234693) is [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is UZWOMVDQIQPJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-25-21(16-27)23-24-22(25)20-11-13-26(14-12-20)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20,27H,11-16H2,1H3.
What are the key properties of [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 362.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 74234693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).