[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C18H26N4O — CID 171909909

IUPAC[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cnc(CN2CCC(C(O)c3nccn3C)CC2)c(C)c1
InChIInChI=1S/C18H26N4O/c1-13-10-14(2)16(20-11-13)12-22-7-4-15(5-8-22)17(23)18-19-6-9-21(18)3/h6,9-11,15,17,23H,4-5,7-8,12H2,1-3H3
InChIKeyBMTGUOHTQGTHAS-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.38
Rot. Bonds4

About [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 171909909) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID171909909
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cnc(CN2CCC(C(O)c3nccn3C)CC2)c(C)c1
InChIInChI=1S/C18H26N4O/c1-13-10-14(2)16(20-11-13)12-22-7-4-15(5-8-22)17(23)18-19-6-9-21(18)3/h6,9-11,15,17,23H,4-5,7-8,12H2,1-3H3
InChIKeyBMTGUOHTQGTHAS-UHFFFAOYSA-N
XLogP2.38
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-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-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 171909909) is [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cc1cnc(CN2CCC(C(O)c3nccn3C)CC2)c(C)c1.
What is the InChIKey of [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is BMTGUOHTQGTHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-10-14(2)16(20-11-13)12-22-7-4-15(5-8-22)17(23)18-19-6-9-21(18)3/h6,9-11,15,17,23H,4-5,7-8,12H2,1-3H3.
What are the key properties of [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 314.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 171909909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).