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

C16H29N3 — CID 102909112

IUPAC3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
SMILESCC(C)C(Cn1cncc1C1CCCNC1)C(C)C
InChIInChI=1S/C16H29N3/c1-12(2)15(13(3)4)10-19-11-18-9-16(19)14-6-5-7-17-8-14/h9,11-15,17H,5-8,10H2,1-4H3
InChIKeyVZAVVVMOCCYDEG-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.28
Rot. Bonds5

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

3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine (PubChem CID 102909112) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
PubChem CID102909112
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
SMILESCC(C)C(Cn1cncc1C1CCCNC1)C(C)C
InChIInChI=1S/C16H29N3/c1-12(2)15(13(3)4)10-19-11-18-9-16(19)14-6-5-7-17-8-14/h9,11-15,17H,5-8,10H2,1-4H3
InChIKeyVZAVVVMOCCYDEG-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180
3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine
CID 106009447
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
2-(5-piperidin-3-ylimidazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114707049
3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
CID 114704110

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine (CID 102909112) is 3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine is CC(C)C(Cn1cncc1C1CCCNC1)C(C)C.
What is the InChIKey of 3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine?
The InChIKey is VZAVVVMOCCYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)15(13(3)4)10-19-11-18-9-16(19)14-6-5-7-17-8-14/h9,11-15,17H,5-8,10H2,1-4H3.
What are the key properties of 3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine?
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine has a molecular weight of 263.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 102909112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).