[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol

C22H26N4O — CID 122194236

IUPAC[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol
SMILESCN1CCC(Cn2cnc(C(O)(c3ccccc3)c3ccccc3)n2)CC1
InChIInChI=1S/C22H26N4O/c1-25-14-12-18(13-15-25)16-26-17-23-21(24-26)22(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,17-18,27H,12-16H2,1H3
InChIKeyOLVBRIDMPHNYHK-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.90
Rot. Bonds5

About [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol

[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol (PubChem CID 122194236) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol
PubChem CID122194236
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol
SMILESCN1CCC(Cn2cnc(C(O)(c3ccccc3)c3ccccc3)n2)CC1
InChIInChI=1S/C22H26N4O/c1-25-14-12-18(13-15-25)16-26-17-23-21(24-26)22(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,17-18,27H,12-16H2,1H3
InChIKeyOLVBRIDMPHNYHK-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol?
The IUPAC name of [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol (CID 122194236) is [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol.
What is the SMILES notation for [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol?
The canonical SMILES for [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol is CN1CCC(Cn2cnc(C(O)(c3ccccc3)c3ccccc3)n2)CC1.
What is the InChIKey of [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol?
The InChIKey is OLVBRIDMPHNYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-25-14-12-18(13-15-25)16-26-17-23-21(24-26)22(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,17-18,27H,12-16H2,1H3.
What are the key properties of [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol?
[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol has a molecular weight of 362.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol is sourced from PubChem (CID 122194236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).