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

C17H23N3O — CID 114704028

IUPAC3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
SMILESCC(C)Oc1ccc(-n2cncc2C2CCCNC2)cc1
InChIInChI=1S/C17H23N3O/c1-13(2)21-16-7-5-15(6-8-16)20-12-19-11-17(20)14-4-3-9-18-10-14/h5-8,11-14,18H,3-4,9-10H2,1-2H3
InChIKeyVXOKDHBRYWZXPH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds4

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

3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine (PubChem CID 114704028) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
PubChem CID114704028
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
SMILESCC(C)Oc1ccc(-n2cncc2C2CCCNC2)cc1
InChIInChI=1S/C17H23N3O/c1-13(2)21-16-7-5-15(6-8-16)20-12-19-11-17(20)14-4-3-9-18-10-14/h5-8,11-14,18H,3-4,9-10H2,1-2H3
InChIKeyVXOKDHBRYWZXPH-UHFFFAOYSA-N
XLogP3.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704020
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702986
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719747
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
CID 114703835
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine (CID 114704028) is 3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine is CC(C)Oc1ccc(-n2cncc2C2CCCNC2)cc1.
What is the InChIKey of 3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine?
The InChIKey is VXOKDHBRYWZXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)21-16-7-5-15(6-8-16)20-12-19-11-17(20)14-4-3-9-18-10-14/h5-8,11-14,18H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine?
3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine has a molecular weight of 285.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114704028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).