4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol

C16H22N4O — CID 74251154

IUPAC4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
SMILESCc1cccc(CN2CCC(O)(Cn3ccnc3)CC2)n1
InChIInChI=1S/C16H22N4O/c1-14-3-2-4-15(18-14)11-19-8-5-16(21,6-9-19)12-20-10-7-17-13-20/h2-4,7,10,13,21H,5-6,8-9,11-12H2,1H3
InChIKeyXJGMAVKGIWBXKB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.61
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol (PubChem CID 74251154) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
PubChem CID74251154
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
SMILESCc1cccc(CN2CCC(O)(Cn3ccnc3)CC2)n1
InChIInChI=1S/C16H22N4O/c1-14-3-2-4-15(18-14)11-19-8-5-16(21,6-9-19)12-20-10-7-17-13-20/h2-4,7,10,13,21H,5-6,8-9,11-12H2,1H3
InChIKeyXJGMAVKGIWBXKB-UHFFFAOYSA-N
XLogP1.61
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol 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 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol (CID 74251154) is 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol is Cc1cccc(CN2CCC(O)(Cn3ccnc3)CC2)n1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol?
The InChIKey is XJGMAVKGIWBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-14-3-2-4-15(18-14)11-19-8-5-16(21,6-9-19)12-20-10-7-17-13-20/h2-4,7,10,13,21H,5-6,8-9,11-12H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol has a molecular weight of 286.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol is sourced from PubChem (CID 74251154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).