1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine

C9H17FN2 — CID 91515741

IUPAC1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine
SMILESCC(F)=C(C)N1CCN(C)CC1
InChIInChI=1S/C9H17FN2/c1-8(10)9(2)12-6-4-11(3)5-7-12/h4-7H2,1-3H3
InChIKeyDVLGYKHKAOCMHY-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.45
Rot. Bonds1

About 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine

1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine (PubChem CID 91515741) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine
PubChem CID91515741
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine
SMILESCC(F)=C(C)N1CCN(C)CC1
InChIInChI=1S/C9H17FN2/c1-8(10)9(2)12-6-4-11(3)5-7-12/h4-7H2,1-3H3
InChIKeyDVLGYKHKAOCMHY-UHFFFAOYSA-N
XLogP1.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,1-Difluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine
CID 124113943
1-Methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine
CID 129207747
1-[(Z)-1,2-difluoroprop-1-enyl]-4-methylpiperazine
CID 129271764
1-(1,1-Difluoroprop-1-en-2-yl)-4-methylpiperazine
CID 134530506
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646
1-[(3E)-2-fluoropenta-1,3-dien-3-yl]-4-methylpiperazine
CID 157906708
1-(2-Fluoropropan-2-yl)-4-methylpiperazine
CID 171630088
1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine
CID 174357861
4-Ethyl-1-methyl-2-propan-2-ylidenepiperazine
CID 89209698
1-Buta-2,3-dien-2-yl-4-methylpiperazine
CID 90908553
1,4,5,6-Tetramethyl-2,3-dihydropyrazine
CID 118348567

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine (CID 91515741) is 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine is CC(F)=C(C)N1CCN(C)CC1.
What is the InChIKey of 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine?
The InChIKey is DVLGYKHKAOCMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-8(10)9(2)12-6-4-11(3)5-7-12/h4-7H2,1-3H3.
What are the key properties of 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine?
1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine has a molecular weight of 172.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobut-2-en-2-yl)-4-methylpiperazine is sourced from PubChem (CID 91515741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).