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

C20H20ClN3 — CID 11175137

IUPAC4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
SMILESClc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1
InChIInChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
InChIKeyLZMOSYUFVYJEPY-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.40
Rot. Bonds3

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

4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine (PubChem CID 11175137) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
PubChem CID11175137
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
SMILESClc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1
InChIInChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
InChIKeyLZMOSYUFVYJEPY-UHFFFAOYSA-N
XLogP4.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine?
The IUPAC name of 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine (CID 11175137) is 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine?
The canonical SMILES for 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine is Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine?
The InChIKey is LZMOSYUFVYJEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine?
4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine has a molecular weight of 337.85 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine is sourced from PubChem (CID 11175137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).