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

C17H23N3O — CID 114705821

IUPAC2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine
SMILESc1ccc(OCCCn2cncc2C2CCCCN2)cc1
InChIInChI=1S/C17H23N3O/c1-2-7-15(8-3-1)21-12-6-11-20-14-18-13-17(20)16-9-4-5-10-19-16/h1-3,7-8,13-14,16,19H,4-6,9-12H2
InChIKeyVNSGWHPPNLAZDL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds6

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

2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine (PubChem CID 114705821) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine
PubChem CID114705821
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine
SMILESc1ccc(OCCCn2cncc2C2CCCCN2)cc1
InChIInChI=1S/C17H23N3O/c1-2-7-15(8-3-1)21-12-6-11-20-14-18-13-17(20)16-9-4-5-10-19-16/h1-3,7-8,13-14,16,19H,4-6,9-12H2
InChIKeyVNSGWHPPNLAZDL-UHFFFAOYSA-N
XLogP3.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963
2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine
CID 114704523
2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
CID 114707003
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine
CID 114704857
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]piperidine
CID 114706178
ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate
CID 114706340
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943849

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine (CID 114705821) is 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine is c1ccc(OCCCn2cncc2C2CCCCN2)cc1.
What is the InChIKey of 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine?
The InChIKey is VNSGWHPPNLAZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-7-15(8-3-1)21-12-6-11-20-14-18-13-17(20)16-9-4-5-10-19-16/h1-3,7-8,13-14,16,19H,4-6,9-12H2.
What are the key properties of 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine?
2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine has a molecular weight of 285.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114705821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).