1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine

C14H24N2 — CID 143306087

IUPAC1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine
SMILESC=C/C=C\C/C=C\C(C)N1CCN(C)CC1
InChIInChI=1S/C14H24N2/c1-4-5-6-7-8-9-14(2)16-12-10-15(3)11-13-16/h4-6,8-9,14H,1,7,10-13H2,2-3H3/b6-5-,9-8-
InChIKeyRLPTYSKRZWULEV-AFJQJTPPSA-N
MW220.36 g/mol
LogP2.31
Rot. Bonds5

About 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine

1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine (PubChem CID 143306087) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine
PubChem CID143306087
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine
SMILESC=C/C=C\C/C=C\C(C)N1CCN(C)CC1
InChIInChI=1S/C14H24N2/c1-4-5-6-7-8-9-14(2)16-12-10-15(3)11-13-16/h4-6,8-9,14H,1,7,10-13H2,2-3H3/b6-5-,9-8-
InChIKeyRLPTYSKRZWULEV-AFJQJTPPSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine (CID 143306087) is 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine is C=C/C=C\C/C=C\C(C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine?
The InChIKey is RLPTYSKRZWULEV-AFJQJTPPSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-5-6-7-8-9-14(2)16-12-10-15(3)11-13-16/h4-6,8-9,14H,1,7,10-13H2,2-3H3/b6-5-,9-8-.
What are the key properties of 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine?
1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine has a molecular weight of 220.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3Z,6Z)-nona-3,6,8-trien-2-yl]piperazine is sourced from PubChem (CID 143306087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).