4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine

C20H21N3 — CID 11738219

IUPAC4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
SMILESc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1
InChIInChI=1S/C20H21N3/c1-2-4-18(5-3-1)20(10-12-21-13-11-20)19-8-6-16(7-9-19)17-14-22-23-15-17/h1-9,14-15,21H,10-13H2,(H,22,23)
InChIKeyLKFDJWGYWDCRPC-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.75
Rot. Bonds3

About 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine

4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine (PubChem CID 11738219) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine.

Molecular Properties

Compound Name4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
PubChem CID11738219
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
SMILESc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1
InChIInChI=1S/C20H21N3/c1-2-4-18(5-3-1)20(10-12-21-13-11-20)19-8-6-16(7-9-19)17-14-22-23-15-17/h1-9,14-15,21H,10-13H2,(H,22,23)
InChIKeyLKFDJWGYWDCRPC-UHFFFAOYSA-N
XLogP3.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine?
The IUPAC name of 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine (CID 11738219) is 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine.
What is the SMILES notation for 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine?
The canonical SMILES for 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine is c1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1.
What is the InChIKey of 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine?
The InChIKey is LKFDJWGYWDCRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-4-18(5-3-1)20(10-12-21-13-11-20)19-8-6-16(7-9-19)17-14-22-23-15-17/h1-9,14-15,21H,10-13H2,(H,22,23).
What are the key properties of 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine?
4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine has a molecular weight of 303.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine is sourced from PubChem (CID 11738219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).