2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine

C12H21N3O — CID 114703963

IUPAC2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
SMILESCOCCCn1cncc1C1CCCCN1
InChIInChI=1S/C12H21N3O/c1-16-8-4-7-15-10-13-9-12(15)11-5-2-3-6-14-11/h9-11,14H,2-8H2,1H3
InChIKeyHTAXFOZABCTRRR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds5

About 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine

2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine (PubChem CID 114703963) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
PubChem CID114703963
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
SMILESCOCCCn1cncc1C1CCCCN1
InChIInChI=1S/C12H21N3O/c1-16-8-4-7-15-10-13-9-12(15)11-5-2-3-6-14-11/h9-11,14H,2-8H2,1H3
InChIKeyHTAXFOZABCTRRR-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine
CID 114705821
2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
CID 114707003
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate
CID 114706340
2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine
CID 114704857
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]piperidine
CID 114706178
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine
CID 114128208
2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-4-yl]piperidine
CID 114705114
2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine
CID 114704523

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine (CID 114703963) is 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine is COCCCn1cncc1C1CCCCN1.
What is the InChIKey of 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine?
The InChIKey is HTAXFOZABCTRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-16-8-4-7-15-10-13-9-12(15)11-5-2-3-6-14-11/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine?
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine has a molecular weight of 223.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114703963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).