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

C16H29N3 — CID 114704680

IUPAC3-(3-octan-2-ylimidazol-4-yl)piperidine
SMILESCCCCCCC(C)n1cncc1C1CCCNC1
InChIInChI=1S/C16H29N3/c1-3-4-5-6-8-14(2)19-13-18-12-16(19)15-9-7-10-17-11-15/h12-15,17H,3-11H2,1-2H3
InChIKeyPKDURQOUZYEGOH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.88
Rot. Bonds7

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

3-(3-octan-2-ylimidazol-4-yl)piperidine (PubChem CID 114704680) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(3-octan-2-ylimidazol-4-yl)piperidine.

Molecular Properties

Compound Name3-(3-octan-2-ylimidazol-4-yl)piperidine
PubChem CID114704680
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(3-octan-2-ylimidazol-4-yl)piperidine
SMILESCCCCCCC(C)n1cncc1C1CCCNC1
InChIInChI=1S/C16H29N3/c1-3-4-5-6-8-14(2)19-13-18-12-16(19)15-9-7-10-17-11-15/h12-15,17H,3-11H2,1-2H3
InChIKeyPKDURQOUZYEGOH-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-1-heptan-2-ylimidazole
CID 116811645
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
2-(3-heptan-2-ylimidazol-4-yl)morpholine
CID 114719560
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
CID 114704110
2-(5-piperidin-3-ylimidazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114707049

Frequently Asked Questions

What is the IUPAC name of 3-(3-octan-2-ylimidazol-4-yl)piperidine?
The IUPAC name of 3-(3-octan-2-ylimidazol-4-yl)piperidine (CID 114704680) is 3-(3-octan-2-ylimidazol-4-yl)piperidine.
What is the SMILES notation for 3-(3-octan-2-ylimidazol-4-yl)piperidine?
The canonical SMILES for 3-(3-octan-2-ylimidazol-4-yl)piperidine is CCCCCCC(C)n1cncc1C1CCCNC1.
What is the InChIKey of 3-(3-octan-2-ylimidazol-4-yl)piperidine?
The InChIKey is PKDURQOUZYEGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-4-5-6-8-14(2)19-13-18-12-16(19)15-9-7-10-17-11-15/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 3-(3-octan-2-ylimidazol-4-yl)piperidine?
3-(3-octan-2-ylimidazol-4-yl)piperidine has a molecular weight of 263.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-octan-2-ylimidazol-4-yl)piperidine is sourced from PubChem (CID 114704680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).