4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine

C22H25N3O2 — CID 13483224

IUPAC4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine
SMILESc1ccc(OCCOc2ccc(-c3cc(C4CCNCC4)[nH]n3)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-4-19(5-3-1)26-14-15-27-20-8-6-17(7-9-20)21-16-22(25-24-21)18-10-12-23-13-11-18/h1-9,16,18,23H,10-15H2,(H,24,25)
InChIKeyNNVJSLNWRCDXTK-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.00
Rot. Bonds7

About 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine

4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine (PubChem CID 13483224) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine
PubChem CID13483224
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine
SMILESc1ccc(OCCOc2ccc(-c3cc(C4CCNCC4)[nH]n3)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-4-19(5-3-1)26-14-15-27-20-8-6-17(7-9-20)21-16-22(25-24-21)18-10-12-23-13-11-18/h1-9,16,18,23H,10-15H2,(H,24,25)
InChIKeyNNVJSLNWRCDXTK-UHFFFAOYSA-N
XLogP4.00
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine (CID 13483224) is 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine is c1ccc(OCCOc2ccc(-c3cc(C4CCNCC4)[nH]n3)cc2)cc1.
What is the InChIKey of 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine?
The InChIKey is NNVJSLNWRCDXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-4-19(5-3-1)26-14-15-27-20-8-6-17(7-9-20)21-16-22(25-24-21)18-10-12-23-13-11-18/h1-9,16,18,23H,10-15H2,(H,24,25).
What are the key properties of 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine?
4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine has a molecular weight of 363.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 13483224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).