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

C14H25N3O — CID 86820593

IUPAC4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine
SMILESCOCCCn1c(C)cnc1CC1CCNCC1
InChIInChI=1S/C14H25N3O/c1-12-11-16-14(17(12)8-3-9-18-2)10-13-4-6-15-7-5-13/h11,13,15H,3-10H2,1-2H3
InChIKeySNFKLGJFFPBQCH-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.77
Rot. Bonds6

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

4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine (PubChem CID 86820593) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine
PubChem CID86820593
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine
SMILESCOCCCn1c(C)cnc1CC1CCNCC1
InChIInChI=1S/C14H25N3O/c1-12-11-16-14(17(12)8-3-9-18-2)10-13-4-6-15-7-5-13/h11,13,15H,3-10H2,1-2H3
InChIKeySNFKLGJFFPBQCH-UHFFFAOYSA-N
XLogP1.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine?
The IUPAC name of 4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine (CID 86820593) is 4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine?
The canonical SMILES for 4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine is COCCCn1c(C)cnc1CC1CCNCC1.
What is the InChIKey of 4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine?
The InChIKey is SNFKLGJFFPBQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12-11-16-14(17(12)8-3-9-18-2)10-13-4-6-15-7-5-13/h11,13,15H,3-10H2,1-2H3.
What are the key properties of 4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine?
4-[[1-(3-methoxypropyl)-5-methylimidazol-2-yl]methyl]piperidine has a molecular weight of 251.37 g/mol, XLogP of 1.77, 6 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]methyl]piperidine is sourced from PubChem (CID 86820593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).