1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine

C24H38N2 — CID 143071724

IUPAC1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine
SMILESC=CC(=C=C(/C=C\C)N1CCN(CCCCC)CC1)C1=CCCCCC1
InChIInChI=1S/C24H38N2/c1-4-7-12-16-25-17-19-26(20-18-25)24(13-5-2)21-22(6-3)23-14-10-8-9-11-15-23/h5-6,13-14H,3-4,7-12,15-20H2,1-2H3/b13-5-
InChIKeyKVGYOPRCQLTMJM-ACAGNQJTSA-N
MW354.58 g/mol
LogP5.86
Rot. Bonds8

About 1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine

1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine (PubChem CID 143071724) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine.

Molecular Properties

Compound Name1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine
PubChem CID143071724
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine
SMILESC=CC(=C=C(/C=C\C)N1CCN(CCCCC)CC1)C1=CCCCCC1
InChIInChI=1S/C24H38N2/c1-4-7-12-16-25-17-19-26(20-18-25)24(13-5-2)21-22(6-3)23-14-10-8-9-11-15-23/h5-6,13-14H,3-4,7-12,15-20H2,1-2H3/b13-5-
InChIKeyKVGYOPRCQLTMJM-ACAGNQJTSA-N
XLogP5.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine?
The IUPAC name of 1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine (CID 143071724) is 1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine.
What is the SMILES notation for 1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine?
The canonical SMILES for 1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine is C=CC(=C=C(/C=C\C)N1CCN(CCCCC)CC1)C1=CCCCCC1.
What is the InChIKey of 1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine?
The InChIKey is KVGYOPRCQLTMJM-ACAGNQJTSA-N. The full InChI is InChI=1S/C24H38N2/c1-4-7-12-16-25-17-19-26(20-18-25)24(13-5-2)21-22(6-3)23-14-10-8-9-11-15-23/h5-6,13-14H,3-4,7-12,15-20H2,1-2H3/b13-5-.
What are the key properties of 1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine?
1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine has a molecular weight of 354.58 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-6-(cyclohepten-1-yl)octa-2,4,5,7-tetraen-4-yl]-4-pentylpiperazine is sourced from PubChem (CID 143071724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).