3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine

C16H21N3O — CID 114704541

IUPAC3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine
SMILESc1ccc(OCCn2cncc2C2CCCNC2)cc1
InChIInChI=1S/C16H21N3O/c1-2-6-15(7-3-1)20-10-9-19-13-18-12-16(19)14-5-4-8-17-11-14/h1-3,6-7,12-14,17H,4-5,8-11H2
InChIKeyXZBHHMRDUHSYJE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds5

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

3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine (PubChem CID 114704541) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine
PubChem CID114704541
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine
SMILESc1ccc(OCCn2cncc2C2CCCNC2)cc1
InChIInChI=1S/C16H21N3O/c1-2-6-15(7-3-1)20-10-9-19-13-18-12-16(19)14-5-4-8-17-11-14/h1-3,6-7,12-14,17H,4-5,8-11H2
InChIKeyXZBHHMRDUHSYJE-UHFFFAOYSA-N
XLogP2.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine (CID 114704541) is 3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine is c1ccc(OCCn2cncc2C2CCCNC2)cc1.
What is the InChIKey of 3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine?
The InChIKey is XZBHHMRDUHSYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-6-15(7-3-1)20-10-9-19-13-18-12-16(19)14-5-4-8-17-11-14/h1-3,6-7,12-14,17H,4-5,8-11H2.
What are the key properties of 3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine?
3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine has a molecular weight of 271.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-phenoxyethyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114704541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).