[2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol

C12H21N3O — CID 10036547

IUPAC[2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(CCCN2CCCCC2)[nH]1
InChIInChI=1S/C12H21N3O/c16-10-11-9-13-12(14-11)5-4-8-15-6-2-1-3-7-15/h9,16H,1-8,10H2,(H,13,14)
InChIKeyJKLLQKAXFQDXOI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.32
Rot. Bonds5

About [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol

[2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol (PubChem CID 10036547) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol
PubChem CID10036547
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(CCCN2CCCCC2)[nH]1
InChIInChI=1S/C12H21N3O/c16-10-11-9-13-12(14-11)5-4-8-15-6-2-1-3-7-15/h9,16H,1-8,10H2,(H,13,14)
InChIKeyJKLLQKAXFQDXOI-UHFFFAOYSA-N
XLogP1.32
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol (CID 10036547) is [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol is OCc1cnc(CCCN2CCCCC2)[nH]1.
What is the InChIKey of [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol?
The InChIKey is JKLLQKAXFQDXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-10-11-9-13-12(14-11)5-4-8-15-6-2-1-3-7-15/h9,16H,1-8,10H2,(H,13,14).
What are the key properties of [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol?
[2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 10036547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).