1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine

C15H24N2O — CID 142099643

IUPAC1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C(/C=C\C(=C)N1CCN(C)CC1)OCC1CC1
InChIInChI=1S/C15H24N2O/c1-13(17-10-8-16(3)9-11-17)4-5-14(2)18-12-15-6-7-15/h4-5,15H,1-2,6-12H2,3H3/b5-4-
InChIKeyMJTVECVUCHFNJJ-PLNGDYQASA-N
MW248.37 g/mol
LogP2.24
Rot. Bonds6

About 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine

1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine (PubChem CID 142099643) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine
PubChem CID142099643
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C(/C=C\C(=C)N1CCN(C)CC1)OCC1CC1
InChIInChI=1S/C15H24N2O/c1-13(17-10-8-16(3)9-11-17)4-5-14(2)18-12-15-6-7-15/h4-5,15H,1-2,6-12H2,3H3/b5-4-
InChIKeyMJTVECVUCHFNJJ-PLNGDYQASA-N
XLogP2.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine
CID 88576754
1-(1-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123502190
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128693
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine
CID 142106543

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine (CID 142099643) is 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine is C=C(/C=C\C(=C)N1CCN(C)CC1)OCC1CC1.
What is the InChIKey of 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The InChIKey is MJTVECVUCHFNJJ-PLNGDYQASA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(17-10-8-16(3)9-11-17)4-5-14(2)18-12-15-6-7-15/h4-5,15H,1-2,6-12H2,3H3/b5-4-.
What are the key properties of 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine?
1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine is sourced from PubChem (CID 142099643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).