4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine

C13H23N3O — CID 176515358

IUPAC4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine
SMILESCOCCCn1c(C)cnc1C1CCNCC1
InChIInChI=1S/C13H23N3O/c1-11-10-15-13(12-4-6-14-7-5-12)16(11)8-3-9-17-2/h10,12,14H,3-9H2,1-2H3
InChIKeyHAWJLQSQPUNSBM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.70
Rot. Bonds5

About 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine

4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine (PubChem CID 176515358) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine
PubChem CID176515358
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine
SMILESCOCCCn1c(C)cnc1C1CCNCC1
InChIInChI=1S/C13H23N3O/c1-11-10-15-13(12-4-6-14-7-5-12)16(11)8-3-9-17-2/h10,12,14H,3-9H2,1-2H3
InChIKeyHAWJLQSQPUNSBM-UHFFFAOYSA-N
XLogP1.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.70
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

1-(2-methoxyethyl)-5-methyl-2-pyrrolidin-3-ylimidazole
CID 86820584
4-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]piperidine
CID 176515434
N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide
CID 91923890
2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine
CID 91911584
2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91923872
4-[2-(2,5-dimethylimidazol-1-yl)ethyl]piperidine
CID 172909232
3-(3-methoxypropyl)-2-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridine
CID 66785612
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
1-(3-methoxypropyl)-2-piperidin-4-ylazepane
CID 64852585
2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole
CID 99728152
1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553025
4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine
CID 114278042

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine?
The IUPAC name of 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine (CID 176515358) is 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine.
What is the SMILES notation for 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine?
The canonical SMILES for 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine is COCCCn1c(C)cnc1C1CCNCC1.
What is the InChIKey of 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine?
The InChIKey is HAWJLQSQPUNSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-10-15-13(12-4-6-14-7-5-12)16(11)8-3-9-17-2/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine?
4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine has a molecular weight of 237.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine is sourced from PubChem (CID 176515358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).