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

C17H31N3 — CID 102909131

IUPAC4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
SMILESCC(C)C(Cn1cncc1C1(C)CCNCC1)C(C)C
InChIInChI=1S/C17H31N3/c1-13(2)15(14(3)4)11-20-12-19-10-16(20)17(5)6-8-18-9-7-17/h10,12-15,18H,6-9,11H2,1-5H3
InChIKeyALZJQJDSOYOWMX-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.45
Rot. Bonds5

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

4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine (PubChem CID 102909131) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
PubChem CID102909131
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
SMILESCC(C)C(Cn1cncc1C1(C)CCNCC1)C(C)C
InChIInChI=1S/C17H31N3/c1-13(2)15(14(3)4)11-20-12-19-10-16(20)17(5)6-8-18-9-7-17/h10,12-15,18H,6-9,11H2,1-5H3
InChIKeyALZJQJDSOYOWMX-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-benzylimidazol-4-yl)-4-methylpiperidine
CID 114716257
4-methyl-4-(3-methylimidazol-4-yl)piperidine
CID 114717460
4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
CID 114718688
1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114102706
N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 114721954
4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine
CID 114722157
2,2-dimethyl-3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanamide
CID 106278172
4-methyl-4-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114721609
4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine
CID 114718584
5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106410304
4-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]-4-methylpiperidine
CID 114718896
4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine
CID 114719163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine (CID 102909131) is 4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine is CC(C)C(Cn1cncc1C1(C)CCNCC1)C(C)C.
What is the InChIKey of 4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine?
The InChIKey is ALZJQJDSOYOWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)15(14(3)4)11-20-12-19-10-16(20)17(5)6-8-18-9-7-17/h10,12-15,18H,6-9,11H2,1-5H3.
What are the key properties of 4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine?
4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine has a molecular weight of 277.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 102909131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).