2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol

C16H26ClN3O — CID 114339871

IUPAC2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
SMILESCn1c(Cl)cnc1CN1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H26ClN3O/c1-19-15(17)10-18-16(19)11-20-9-5-4-7-13(20)12-6-2-3-8-14(12)21/h10,12-14,21H,2-9,11H2,1H3
InChIKeyPRUSPJNHCIKDBG-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.98
Rot. Bonds3

About 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol

2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol (PubChem CID 114339871) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
PubChem CID114339871
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
SMILESCn1c(Cl)cnc1CN1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H26ClN3O/c1-19-15(17)10-18-16(19)11-20-9-5-4-7-13(20)12-6-2-3-8-14(12)21/h10,12-14,21H,2-9,11H2,1H3
InChIKeyPRUSPJNHCIKDBG-UHFFFAOYSA-N
XLogP2.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol 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-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 60685083
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338141
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339595
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340223
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 81493206
1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol
CID 60690023
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
trans-(1R,2R)-2-[(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129349934
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426766

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol (CID 114339871) is 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol is Cn1c(Cl)cnc1CN1CCCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is PRUSPJNHCIKDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-19-15(17)10-18-16(19)11-20-9-5-4-7-13(20)12-6-2-3-8-14(12)21/h10,12-14,21H,2-9,11H2,1H3.
What are the key properties of 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol?
2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 311.86 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).