3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine

C17H23N3O — CID 114702894

IUPAC3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCOc1ccc(CCn2cncc2C2CCCNC2)cc1
InChIInChI=1S/C17H23N3O/c1-21-16-6-4-14(5-7-16)8-10-20-13-19-12-17(20)15-3-2-9-18-11-15/h4-7,12-13,15,18H,2-3,8-11H2,1H3
InChIKeyQWJLNLPOLFTPMT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.60
Rot. Bonds5

About 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine

3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114702894) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
PubChem CID114702894
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCOc1ccc(CCn2cncc2C2CCCNC2)cc1
InChIInChI=1S/C17H23N3O/c1-21-16-6-4-14(5-7-16)8-10-20-13-19-12-17(20)15-3-2-9-18-11-15/h4-7,12-13,15,18H,2-3,8-11H2,1H3
InChIKeyQWJLNLPOLFTPMT-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine (CID 114702894) is 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine is COc1ccc(CCn2cncc2C2CCCNC2)cc1.
What is the InChIKey of 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is QWJLNLPOLFTPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-16-6-4-14(5-7-16)8-10-20-13-19-12-17(20)15-3-2-9-18-11-15/h4-7,12-13,15,18H,2-3,8-11H2,1H3.
What are the key properties of 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine?
3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 285.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114702894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).