4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine

C14H25N3 — CID 114704625

IUPAC4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
SMILESCCC(C)C(C)n1cncc1C1CCNCC1
InChIInChI=1S/C14H25N3/c1-4-11(2)12(3)17-10-16-9-14(17)13-5-7-15-8-6-13/h9-13,15H,4-8H2,1-3H3
InChIKeyNOVJZPGWRZQWRY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.96
Rot. Bonds4

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

4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine (PubChem CID 114704625) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
PubChem CID114704625
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
SMILESCCC(C)C(C)n1cncc1C1CCNCC1
InChIInChI=1S/C14H25N3/c1-4-11(2)12(3)17-10-16-9-14(17)13-5-7-15-8-6-13/h9-13,15H,4-8H2,1-3H3
InChIKeyNOVJZPGWRZQWRY-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine
CID 114705815
4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine
CID 106212006
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
N,N-dimethyl-2-(5-piperidin-4-ylimidazol-1-yl)propanamide
CID 114705390
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
1-(5-cyclopropylimidazol-1-yl)ethanethiol
CID 147733505
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
CID 114112555
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
5-cyclopropyl-1-heptan-2-ylimidazole
CID 116811645
5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole
CID 66149787

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine (CID 114704625) is 4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine is CCC(C)C(C)n1cncc1C1CCNCC1.
What is the InChIKey of 4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine?
The InChIKey is NOVJZPGWRZQWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-11(2)12(3)17-10-16-9-14(17)13-5-7-15-8-6-13/h9-13,15H,4-8H2,1-3H3.
What are the key properties of 4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine?
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114704625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).