1-butyl-4-ethyl-4-phenyl-3-propylpiperidine

C20H33N — CID 54461245

IUPAC1-butyl-4-ethyl-4-phenyl-3-propylpiperidine
SMILESCCCCN1CCC(CC)(c2ccccc2)C(CCC)C1
InChIInChI=1S/C20H33N/c1-4-7-15-21-16-14-20(6-3,19(17-21)11-5-2)18-12-9-8-10-13-18/h8-10,12-13,19H,4-7,11,14-17H2,1-3H3
InChIKeyXBTYXGYCVGTCHI-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.26
Rot. Bonds7

About 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine

1-butyl-4-ethyl-4-phenyl-3-propylpiperidine (PubChem CID 54461245) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine.

Molecular Properties

Compound Name1-butyl-4-ethyl-4-phenyl-3-propylpiperidine
PubChem CID54461245
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-butyl-4-ethyl-4-phenyl-3-propylpiperidine
SMILESCCCCN1CCC(CC)(c2ccccc2)C(CCC)C1
InChIInChI=1S/C20H33N/c1-4-7-15-21-16-14-20(6-3,19(17-21)11-5-2)18-12-9-8-10-13-18/h8-10,12-13,19H,4-7,11,14-17H2,1-3H3
InChIKeyXBTYXGYCVGTCHI-UHFFFAOYSA-N
XLogP5.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine?
The IUPAC name of 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine (CID 54461245) is 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine.
What is the SMILES notation for 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine?
The canonical SMILES for 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine is CCCCN1CCC(CC)(c2ccccc2)C(CCC)C1.
What is the InChIKey of 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine?
The InChIKey is XBTYXGYCVGTCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-7-15-21-16-14-20(6-3,19(17-21)11-5-2)18-12-9-8-10-13-18/h8-10,12-13,19H,4-7,11,14-17H2,1-3H3.
What are the key properties of 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine?
1-butyl-4-ethyl-4-phenyl-3-propylpiperidine has a molecular weight of 287.49 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-ethyl-4-phenyl-3-propylpiperidine is sourced from PubChem (CID 54461245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).