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

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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).