1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol

C14H25N3O2 — CID 11558056

IUPAC1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol
SMILESCC(O)c1cnc(OCCCN2CCCCC2)n1C
InChIInChI=1S/C14H25N3O2/c1-12(18)13-11-15-14(16(13)2)19-10-6-9-17-7-4-3-5-8-17/h11-12,18H,3-10H2,1-2H3
InChIKeyDBUKHVHMYKKHBA-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.73
Rot. Bonds6

About 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol

1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol (PubChem CID 11558056) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol
PubChem CID11558056
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol
SMILESCC(O)c1cnc(OCCCN2CCCCC2)n1C
InChIInChI=1S/C14H25N3O2/c1-12(18)13-11-15-14(16(13)2)19-10-6-9-17-7-4-3-5-8-17/h11-12,18H,3-10H2,1-2H3
InChIKeyDBUKHVHMYKKHBA-UHFFFAOYSA-N
XLogP1.73
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol?
The IUPAC name of 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol (CID 11558056) is 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol?
The canonical SMILES for 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol is CC(O)c1cnc(OCCCN2CCCCC2)n1C.
What is the InChIKey of 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol?
The InChIKey is DBUKHVHMYKKHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-12(18)13-11-15-14(16(13)2)19-10-6-9-17-7-4-3-5-8-17/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol?
1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol has a molecular weight of 267.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]ethanol is sourced from PubChem (CID 11558056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).