cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one

C19H33N3O2 — CID 164604544

IUPACcyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2ncc[nH]2)CC1.OCC1CCCCC1
InChIInChI=1S/C12H19N3O.C7H14O/c1-2-3-11(16)15-8-4-10(5-9-15)12-13-6-7-14-12;8-6-7-4-2-1-3-5-7/h6-7,10H,2-5,8-9H2,1H3,(H,13,14);7-8H,1-6H2
InChIKeyCOJRKYJXIZGLNX-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.47
Rot. Bonds4

About cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one

cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 164604544) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Namecyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID164604544
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Namecyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2ncc[nH]2)CC1.OCC1CCCCC1
InChIInChI=1S/C12H19N3O.C7H14O/c1-2-3-11(16)15-8-4-10(5-9-15)12-13-6-7-14-12;8-6-7-4-2-1-3-5-7/h6-7,10H,2-5,8-9H2,1H3,(H,13,14);7-8H,1-6H2
InChIKeyCOJRKYJXIZGLNX-UHFFFAOYSA-N
XLogP3.47
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one 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 cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one (CID 164604544) is cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2ncc[nH]2)CC1.OCC1CCCCC1.
What is the InChIKey of cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is COJRKYJXIZGLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.C7H14O/c1-2-3-11(16)15-8-4-10(5-9-15)12-13-6-7-14-12;8-6-7-4-2-1-3-5-7/h6-7,10H,2-5,8-9H2,1H3,(H,13,14);7-8H,1-6H2.
What are the key properties of cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 335.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 164604544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).