1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine

C16H26N2O — CID 144565881

IUPAC1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine
SMILESC=CC(=C)/C=C\C(=C)COCCN1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-5-15(2)6-7-16(3)14-19-13-12-18-10-8-17(4)9-11-18/h5-7H,1-3,8-14H2,4H3/b7-6-
InChIKeyACRURSAFTLEHKS-SREVYHEPSA-N
MW262.40 g/mol
LogP2.11
Rot. Bonds8

About 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine

1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine (PubChem CID 144565881) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine
PubChem CID144565881
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine
SMILESC=CC(=C)/C=C\C(=C)COCCN1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-5-15(2)6-7-16(3)14-19-13-12-18-10-8-17(4)9-11-18/h5-7H,1-3,8-14H2,4H3/b7-6-
InChIKeyACRURSAFTLEHKS-SREVYHEPSA-N
XLogP2.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine (CID 144565881) is 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine is C=CC(=C)/C=C\C(=C)COCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine?
The InChIKey is ACRURSAFTLEHKS-SREVYHEPSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-15(2)6-7-16(3)14-19-13-12-18-10-8-17(4)9-11-18/h5-7H,1-3,8-14H2,4H3/b7-6-.
What are the key properties of 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine?
1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3Z)-2,5-dimethylidenehepta-3,6-dienoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 144565881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).