1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine

C20H35N — CID 91000603

IUPAC1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine
SMILESC=CC(=C(CC)C(C)=CC)N1CCC(CCCCC)CC1
InChIInChI=1S/C20H35N/c1-6-10-11-12-18-13-15-21(16-14-18)20(9-4)19(8-3)17(5)7-2/h7,9,18H,4,6,8,10-16H2,1-3,5H3
InChIKeyLIFCYBCDCXZEEQ-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.09
Rot. Bonds8

About 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine

1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine (PubChem CID 91000603) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine.

Molecular Properties

Compound Name1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine
PubChem CID91000603
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine
SMILESC=CC(=C(CC)C(C)=CC)N1CCC(CCCCC)CC1
InChIInChI=1S/C20H35N/c1-6-10-11-12-18-13-15-21(16-14-18)20(9-4)19(8-3)17(5)7-2/h7,9,18H,4,6,8,10-16H2,1-3,5H3
InChIKeyLIFCYBCDCXZEEQ-UHFFFAOYSA-N
XLogP6.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine?
The IUPAC name of 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine (CID 91000603) is 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine.
What is the SMILES notation for 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine?
The canonical SMILES for 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine is C=CC(=C(CC)C(C)=CC)N1CCC(CCCCC)CC1.
What is the InChIKey of 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine?
The InChIKey is LIFCYBCDCXZEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-10-11-12-18-13-15-21(16-14-18)20(9-4)19(8-3)17(5)7-2/h7,9,18H,4,6,8,10-16H2,1-3,5H3.
What are the key properties of 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine?
1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine has a molecular weight of 289.51 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methylhepta-1,3,5-trien-3-yl)-4-pentylpiperidine is sourced from PubChem (CID 91000603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).