1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine

C15H25N3 — CID 56918851

IUPAC1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine
SMILESCC(C)=CCN1CCCC(Cn2ccnc2C)C1
InChIInChI=1S/C15H25N3/c1-13(2)6-9-17-8-4-5-15(11-17)12-18-10-7-16-14(18)3/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3
InChIKeyKRYDTXZTNFRXDF-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.87
Rot. Bonds4

About 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine

1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine (PubChem CID 56918851) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine
PubChem CID56918851
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine
SMILESCC(C)=CCN1CCCC(Cn2ccnc2C)C1
InChIInChI=1S/C15H25N3/c1-13(2)6-9-17-8-4-5-15(11-17)12-18-10-7-16-14(18)3/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3
InChIKeyKRYDTXZTNFRXDF-UHFFFAOYSA-N
XLogP2.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
4-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63554068
3-[(2-Methyl-1H-imidazol-1-YL)methyl]piperidine
CID 18712969
3-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63975807
2-Methyl-1-[(1-methylimidazol-2-yl)methyl]-4-(2-methylprop-2-enyl)piperazine
CID 53572913
2-Methyl-4-(3-methylbut-2-enyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 56778635
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
CID 56788085
3-(1-methyl-1H-imidazol-2-yl)-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 70743009
4-[2-(2-Methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
CID 95827895
4-((2-Methyl-1H-imidazol-1-yl)methyl)piperidine
CID 25794905
3-(1-methyl-1H-imidazol-2-yl)piperidine
CID 75485612
1-ethyl-2-{[(S)-2-methyl-1-piperidyl]methyl}imidazole
CID 99844682

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine (CID 56918851) is 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine is CC(C)=CCN1CCCC(Cn2ccnc2C)C1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine?
The InChIKey is KRYDTXZTNFRXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)6-9-17-8-4-5-15(11-17)12-18-10-7-16-14(18)3/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine?
1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine has a molecular weight of 247.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 56918851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).