1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine

C18H28N2 — CID 59545859

IUPAC1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
SMILESCCc1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-16-6-8-17(9-7-16)20-14-10-18(11-15-20)19-12-4-3-5-13-19/h6-9,18H,2-5,10-15H2,1H3
InChIKeyFLHRIRXFJOUZRW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.70
Rot. Bonds3

About 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine

1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine (PubChem CID 59545859) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
PubChem CID59545859
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
SMILESCCc1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-16-6-8-17(9-7-16)20-14-10-18(11-15-20)19-12-4-3-5-13-19/h6-9,18H,2-5,10-15H2,1H3
InChIKeyFLHRIRXFJOUZRW-UHFFFAOYSA-N
XLogP3.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine (CID 59545859) is 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine is CCc1ccc(N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine?
The InChIKey is FLHRIRXFJOUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-16-6-8-17(9-7-16)20-14-10-18(11-15-20)19-12-4-3-5-13-19/h6-9,18H,2-5,10-15H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine?
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine has a molecular weight of 272.44 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 59545859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).