3-(3-butylimidazol-4-yl)piperidine

C12H21N3 — CID 114702793

IUPAC3-(3-butylimidazol-4-yl)piperidine
SMILESCCCCn1cncc1C1CCCNC1
InChIInChI=1S/C12H21N3/c1-2-3-7-15-10-14-9-12(15)11-5-4-6-13-8-11/h9-11,13H,2-8H2,1H3
InChIKeyOWZRJZLVFXYKKC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds4

About 3-(3-butylimidazol-4-yl)piperidine

3-(3-butylimidazol-4-yl)piperidine (PubChem CID 114702793) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(3-butylimidazol-4-yl)piperidine.

Molecular Properties

Compound Name3-(3-butylimidazol-4-yl)piperidine
PubChem CID114702793
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(3-butylimidazol-4-yl)piperidine
SMILESCCCCn1cncc1C1CCCNC1
InChIInChI=1S/C12H21N3/c1-2-3-7-15-10-14-9-12(15)11-5-4-6-13-8-11/h9-11,13H,2-8H2,1H3
InChIKeyOWZRJZLVFXYKKC-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine
CID 106009447
5-(azetidin-3-yl)-1-pentylimidazole
CID 114716245
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
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
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594

Frequently Asked Questions

What is the IUPAC name of 3-(3-butylimidazol-4-yl)piperidine?
The IUPAC name of 3-(3-butylimidazol-4-yl)piperidine (CID 114702793) is 3-(3-butylimidazol-4-yl)piperidine.
What is the SMILES notation for 3-(3-butylimidazol-4-yl)piperidine?
The canonical SMILES for 3-(3-butylimidazol-4-yl)piperidine is CCCCn1cncc1C1CCCNC1.
What is the InChIKey of 3-(3-butylimidazol-4-yl)piperidine?
The InChIKey is OWZRJZLVFXYKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-7-15-10-14-9-12(15)11-5-4-6-13-8-11/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-(3-butylimidazol-4-yl)piperidine?
3-(3-butylimidazol-4-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butylimidazol-4-yl)piperidine is sourced from PubChem (CID 114702793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).