[2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol

C13H23N3O — CID 10354159

IUPAC[2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(CCCCN2CCCCC2)[nH]1
InChIInChI=1S/C13H23N3O/c17-11-12-10-14-13(15-12)6-2-5-9-16-7-3-1-4-8-16/h10,17H,1-9,11H2,(H,14,15)
InChIKeyFDDWNRAMGQLJCB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.71
Rot. Bonds6

About [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol

[2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol (PubChem CID 10354159) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol
PubChem CID10354159
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(CCCCN2CCCCC2)[nH]1
InChIInChI=1S/C13H23N3O/c17-11-12-10-14-13(15-12)6-2-5-9-16-7-3-1-4-8-16/h10,17H,1-9,11H2,(H,14,15)
InChIKeyFDDWNRAMGQLJCB-UHFFFAOYSA-N
XLogP1.71
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol (CID 10354159) is [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol is OCc1cnc(CCCCN2CCCCC2)[nH]1.
What is the InChIKey of [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol?
The InChIKey is FDDWNRAMGQLJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-11-12-10-14-13(15-12)6-2-5-9-16-7-3-1-4-8-16/h10,17H,1-9,11H2,(H,14,15).
What are the key properties of [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol?
[2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 10354159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).