1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine

C9H15FN2 — CID 123346502

IUPAC1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine
SMILESC=C(F)C(=C)N1CCN(C)CC1
InChIInChI=1S/C9H15FN2/c1-8(10)9(2)12-6-4-11(3)5-7-12/h1-2,4-7H2,3H3
InChIKeyBKYYINGSSAGLRE-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.23
Rot. Bonds2

About 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine

1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine (PubChem CID 123346502) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine
PubChem CID123346502
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine
SMILESC=C(F)C(=C)N1CCN(C)CC1
InChIInChI=1S/C9H15FN2/c1-8(10)9(2)12-6-4-11(3)5-7-12/h1-2,4-7H2,3H3
InChIKeyBKYYINGSSAGLRE-UHFFFAOYSA-N
XLogP1.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Fluorobuta-1,3-dien-2-yl)piperazine
CID 123812074
1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]piperazine
CID 130418377
1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
CID 134530505
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646
4-Fluoro-1-methyl-2-methylidenepiperazine
CID 156747861
1-[(3E)-2-fluoropenta-1,3-dien-3-yl]-4-methylpiperazine
CID 157906708
1-Propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
CID 170195592
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine
CID 171622131
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 174194314
1-(7-Fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine
CID 143579500

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine (CID 123346502) is 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine is C=C(F)C(=C)N1CCN(C)CC1.
What is the InChIKey of 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine?
The InChIKey is BKYYINGSSAGLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-8(10)9(2)12-6-4-11(3)5-7-12/h1-2,4-7H2,3H3.
What are the key properties of 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine?
1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine has a molecular weight of 170.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobuta-1,3-dien-2-yl)-4-methylpiperazine is sourced from PubChem (CID 123346502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).