2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine

C21H33N3 — CID 70270499

IUPAC2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine
SMILESc1cc(C2CNCCN2C2CCNCC2)ccc1C1CCCCC1
InChIInChI=1S/C21H33N3/c1-2-4-17(5-3-1)18-6-8-19(9-7-18)21-16-23-14-15-24(21)20-10-12-22-13-11-20/h6-9,17,20-23H,1-5,10-16H2
InChIKeyLECTUUAZVWDDIA-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine

2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine (PubChem CID 70270499) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine
PubChem CID70270499
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine
SMILESc1cc(C2CNCCN2C2CCNCC2)ccc1C1CCCCC1
InChIInChI=1S/C21H33N3/c1-2-4-17(5-3-1)18-6-8-19(9-7-18)21-16-23-14-15-24(21)20-10-12-22-13-11-20/h6-9,17,20-23H,1-5,10-16H2
InChIKeyLECTUUAZVWDDIA-UHFFFAOYSA-N
XLogP3.43
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine?
The IUPAC name of 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine (CID 70270499) is 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine?
The canonical SMILES for 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine is c1cc(C2CNCCN2C2CCNCC2)ccc1C1CCCCC1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine?
The InChIKey is LECTUUAZVWDDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-2-4-17(5-3-1)18-6-8-19(9-7-18)21-16-23-14-15-24(21)20-10-12-22-13-11-20/h6-9,17,20-23H,1-5,10-16H2.
What are the key properties of 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine?
2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine has a molecular weight of 327.52 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine is sourced from PubChem (CID 70270499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).