2-(3-octan-4-ylimidazol-4-yl)piperidine

C16H29N3 — CID 106022201

IUPAC2-(3-octan-4-ylimidazol-4-yl)piperidine
SMILESCCCCC(CCC)n1cncc1C1CCCCN1
InChIInChI=1S/C16H29N3/c1-3-5-9-14(8-4-2)19-13-17-12-16(19)15-10-6-7-11-18-15/h12-15,18H,3-11H2,1-2H3
InChIKeyHOBGLSKXCDQEIT-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.23
Rot. Bonds7

About 2-(3-octan-4-ylimidazol-4-yl)piperidine

2-(3-octan-4-ylimidazol-4-yl)piperidine (PubChem CID 106022201) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(3-octan-4-ylimidazol-4-yl)piperidine.

Molecular Properties

Compound Name2-(3-octan-4-ylimidazol-4-yl)piperidine
PubChem CID106022201
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-(3-octan-4-ylimidazol-4-yl)piperidine
SMILESCCCCC(CCC)n1cncc1C1CCCCN1
InChIInChI=1S/C16H29N3/c1-3-5-9-14(8-4-2)19-13-17-12-16(19)15-10-6-7-11-18-15/h12-15,18H,3-11H2,1-2H3
InChIKeyHOBGLSKXCDQEIT-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
5-(azetidin-3-yl)-1-octan-4-ylimidazole
CID 106022193
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
N,N,4-trimethyl-2-(5-pyrrolidin-2-ylimidazol-1-yl)pentan-1-amine
CID 114704667
2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705914
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704684
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
2-[3-(4-ethylcyclohexyl)imidazol-4-yl]piperidine
CID 114704600
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720

Frequently Asked Questions

What is the IUPAC name of 2-(3-octan-4-ylimidazol-4-yl)piperidine?
The IUPAC name of 2-(3-octan-4-ylimidazol-4-yl)piperidine (CID 106022201) is 2-(3-octan-4-ylimidazol-4-yl)piperidine.
What is the SMILES notation for 2-(3-octan-4-ylimidazol-4-yl)piperidine?
The canonical SMILES for 2-(3-octan-4-ylimidazol-4-yl)piperidine is CCCCC(CCC)n1cncc1C1CCCCN1.
What is the InChIKey of 2-(3-octan-4-ylimidazol-4-yl)piperidine?
The InChIKey is HOBGLSKXCDQEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-9-14(8-4-2)19-13-17-12-16(19)15-10-6-7-11-18-15/h12-15,18H,3-11H2,1-2H3.
What are the key properties of 2-(3-octan-4-ylimidazol-4-yl)piperidine?
2-(3-octan-4-ylimidazol-4-yl)piperidine has a molecular weight of 263.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-octan-4-ylimidazol-4-yl)piperidine is sourced from PubChem (CID 106022201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).