formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine

C11H19N3O2 — CID 157155381

IUPACformic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine
SMILESO=CO.c1c[nH]c(CCN2CCCCC2)n1
InChIInChI=1S/C10H17N3.CH2O2/c1-2-7-13(8-3-1)9-4-10-11-5-6-12-10;2-1-3/h5-6H,1-4,7-9H2,(H,11,12);1H,(H,2,3)
InChIKeyALSZTEULUMNZOG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.14
Rot. Bonds3

About formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine

formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine (PubChem CID 157155381) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine.

Molecular Properties

Compound Nameformic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine
PubChem CID157155381
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameformic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine
SMILESO=CO.c1c[nH]c(CCN2CCCCC2)n1
InChIInChI=1S/C10H17N3.CH2O2/c1-2-7-13(8-3-1)9-4-10-11-5-6-12-10;2-1-3/h5-6H,1-4,7-9H2,(H,11,12);1H,(H,2,3)
InChIKeyALSZTEULUMNZOG-UHFFFAOYSA-N
XLogP1.14
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol
CID 167971614
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72874168
1-(1H-imidazol-2-yl)-2-piperidin-1-ylethanone
CID 126736798
(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
CID 125437759
1-(2-hydroxyethyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 118772758
1-[4-(azepan-1-ylmethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111673
formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 154885465
1-[3-(1H-imidazol-2-yloxy)propyl]piperidine
CID 91011731
4-(4-fluorophenoxy)-1-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 131950223
2-butyl-1H-imidazole;cyclohexane
CID 173413359
2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
CID 115608297

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine?
The IUPAC name of formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine (CID 157155381) is formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine.
What is the SMILES notation for formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine?
The canonical SMILES for formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine is O=CO.c1c[nH]c(CCN2CCCCC2)n1.
What is the InChIKey of formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine?
The InChIKey is ALSZTEULUMNZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.CH2O2/c1-2-7-13(8-3-1)9-4-10-11-5-6-12-10;2-1-3/h5-6H,1-4,7-9H2,(H,11,12);1H,(H,2,3).
What are the key properties of formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine?
formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine has a molecular weight of 225.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine is sourced from PubChem (CID 157155381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).