3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine

C15H27N3O — CID 106009447

IUPAC3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine
SMILESCC(C)OCCCCn1cncc1C1CCCNC1
InChIInChI=1S/C15H27N3O/c1-13(2)19-9-4-3-8-18-12-17-11-15(18)14-6-5-7-16-10-14/h11-14,16H,3-10H2,1-2H3
InChIKeyYNNYCHIWKWYCCD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.56
Rot. Bonds7

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

3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine (PubChem CID 106009447) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine
PubChem CID106009447
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine
SMILESCC(C)OCCCCn1cncc1C1CCCNC1
InChIInChI=1S/C15H27N3O/c1-13(2)19-9-4-3-8-18-12-17-11-15(18)14-6-5-7-16-10-14/h11-14,16H,3-10H2,1-2H3
InChIKeyYNNYCHIWKWYCCD-UHFFFAOYSA-N
XLogP2.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.56
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

3-(3-butylimidazol-4-yl)piperidine
CID 114702793
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
3-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 106261736
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine (CID 106009447) is 3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine is CC(C)OCCCCn1cncc1C1CCCNC1.
What is the InChIKey of 3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine?
The InChIKey is YNNYCHIWKWYCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(2)19-9-4-3-8-18-12-17-11-15(18)14-6-5-7-16-10-14/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine?
3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine has a molecular weight of 265.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 106009447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).