[3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol

C23H30N4O — CID 118460469

IUPAC[3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol
SMILESCc1cccc(C2CCN(CCCCn3nnc4ccc(CO)cc43)CC2)c1
InChIInChI=1S/C23H30N4O/c1-18-5-4-6-21(15-18)20-9-13-26(14-10-20)11-2-3-12-27-23-16-19(17-28)7-8-22(23)24-25-27/h4-8,15-16,20,28H,2-3,9-14,17H2,1H3
InChIKeyOYRWWTUPKCUQCF-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.89
Rot. Bonds7

About [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol

[3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol (PubChem CID 118460469) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol
PubChem CID118460469
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol
SMILESCc1cccc(C2CCN(CCCCn3nnc4ccc(CO)cc43)CC2)c1
InChIInChI=1S/C23H30N4O/c1-18-5-4-6-21(15-18)20-9-13-26(14-10-20)11-2-3-12-27-23-16-19(17-28)7-8-22(23)24-25-27/h4-8,15-16,20,28H,2-3,9-14,17H2,1H3
InChIKeyOYRWWTUPKCUQCF-UHFFFAOYSA-N
XLogP3.89
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol?
The IUPAC name of [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol (CID 118460469) is [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol.
What is the SMILES notation for [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol?
The canonical SMILES for [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol is Cc1cccc(C2CCN(CCCCn3nnc4ccc(CO)cc43)CC2)c1.
What is the InChIKey of [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol?
The InChIKey is OYRWWTUPKCUQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-5-4-6-21(15-18)20-9-13-26(14-10-20)11-2-3-12-27-23-16-19(17-28)7-8-22(23)24-25-27/h4-8,15-16,20,28H,2-3,9-14,17H2,1H3.
What are the key properties of [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol?
[3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol has a molecular weight of 378.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(3-methylphenyl)piperidin-1-yl]butyl]benzotriazol-5-yl]methanol is sourced from PubChem (CID 118460469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).