5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine

C12H21N3O — CID 62074285

IUPAC5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine
SMILESCC1CCC(OCCCn2ccnc2)CN1
InChIInChI=1S/C12H21N3O/c1-11-3-4-12(9-14-11)16-8-2-6-15-7-5-13-10-15/h5,7,10-12,14H,2-4,6,8-9H2,1H3
InChIKeyXARINHUSRMDRMQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds5

About 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine

5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine (PubChem CID 62074285) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine
PubChem CID62074285
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine
SMILESCC1CCC(OCCCn2ccnc2)CN1
InChIInChI=1S/C12H21N3O/c1-11-3-4-12(9-14-11)16-8-2-6-15-7-5-13-10-15/h5,7,10-12,14H,2-4,6,8-9H2,1H3
InChIKeyXARINHUSRMDRMQ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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

[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol
CID 106825588
3-(2-imidazol-1-ylethoxy)piperidine
CID 106937689
1-(13-ethoxytridecyl)imidazole
CID 145255635
3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930394
1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole
CID 114796227
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid
CID 114451021
1-(7-methyloctyl)imidazole
CID 59001100
1-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148

Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine?
The IUPAC name of 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine (CID 62074285) is 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine.
What is the SMILES notation for 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine?
The canonical SMILES for 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine is CC1CCC(OCCCn2ccnc2)CN1.
What is the InChIKey of 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine?
The InChIKey is XARINHUSRMDRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11-3-4-12(9-14-11)16-8-2-6-15-7-5-13-10-15/h5,7,10-12,14H,2-4,6,8-9H2,1H3.
What are the key properties of 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine?
5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine has a molecular weight of 223.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine is sourced from PubChem (CID 62074285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).