2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine

C18H25N3 — CID 114718231

IUPAC2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2CCCc2ccccc2)N1
InChIInChI=1S/C18H25N3/c1-15-7-5-11-17(20-15)18-13-19-14-21(18)12-6-10-16-8-3-2-4-9-16/h2-4,8-9,13-15,17,20H,5-7,10-12H2,1H3
InChIKeyOLNCXLRCMDFXCU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds5

About 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine

2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine (PubChem CID 114718231) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
PubChem CID114718231
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2CCCc2ccccc2)N1
InChIInChI=1S/C18H25N3/c1-15-7-5-11-17(20-15)18-13-19-14-21(18)12-6-10-16-8-3-2-4-9-16/h2-4,8-9,13-15,17,20H,5-7,10-12H2,1H3
InChIKeyOLNCXLRCMDFXCU-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114721154
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
CID 114716493
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
2-methyl-6-[3-(oxan-4-ylmethyl)imidazol-4-yl]piperidine
CID 114720357
N-ethyl-3-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]propanamide
CID 114721853
2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine
CID 114719966
2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114719209
2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine
CID 114721451
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine
CID 114717939

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine (CID 114718231) is 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine is CC1CCCC(c2cncn2CCCc2ccccc2)N1.
What is the InChIKey of 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine?
The InChIKey is OLNCXLRCMDFXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15-7-5-11-17(20-15)18-13-19-14-21(18)12-6-10-16-8-3-2-4-9-16/h2-4,8-9,13-15,17,20H,5-7,10-12H2,1H3.
What are the key properties of 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine?
2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114718231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).