1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine

C23H31N3 — CID 2846536

IUPAC1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine
SMILESc1ccc(CCN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H31N3/c1-3-7-21(8-4-1)11-14-24-15-12-23(13-16-24)26-19-17-25(18-20-26)22-9-5-2-6-10-22/h1-10,23H,11-20H2
InChIKeyGLUFGXXRIGUQGS-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.52
Rot. Bonds5

About 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine

1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine (PubChem CID 2846536) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine
PubChem CID2846536
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine
SMILESc1ccc(CCN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H31N3/c1-3-7-21(8-4-1)11-14-24-15-12-23(13-16-24)26-19-17-25(18-20-26)22-9-5-2-6-10-22/h1-10,23H,11-20H2
InChIKeyGLUFGXXRIGUQGS-UHFFFAOYSA-N
XLogP3.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine?
The IUPAC name of 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine (CID 2846536) is 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine.
What is the SMILES notation for 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine?
The canonical SMILES for 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine is c1ccc(CCN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine?
The InChIKey is GLUFGXXRIGUQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-3-7-21(8-4-1)11-14-24-15-12-23(13-16-24)26-19-17-25(18-20-26)22-9-5-2-6-10-22/h1-10,23H,11-20H2.
What are the key properties of 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine?
1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine has a molecular weight of 349.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine is sourced from PubChem (CID 2846536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).