1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine

C10H17F3N2 — CID 170195592

IUPAC1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
SMILESC=C(N1CCN(C(C)C)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-8(2)14-4-6-15(7-5-14)9(3)10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyVMUCZLJQQONPOR-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.09
Rot. Bonds2

About 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine

1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine (PubChem CID 170195592) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
PubChem CID170195592
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
SMILESC=C(N1CCN(C(C)C)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-8(2)14-4-6-15(7-5-14)9(3)10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyVMUCZLJQQONPOR-UHFFFAOYSA-N
XLogP2.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4,5,6-Pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine
CID 70935651
1-(3-Fluorobuta-1,3-dien-2-yl)-4-methylpiperazine
CID 123346502
1-(Trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
CID 124113936
1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-(trifluoromethyl)piperazine
CID 124113941
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-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine
CID 129271421
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-(1,1-Difluoroprop-1-en-2-yl)-4-methylpiperazine
CID 134530506
1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine
CID 134534123
N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine
CID 143006750

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
The IUPAC name of 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine (CID 170195592) is 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine.
What is the SMILES notation for 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
The canonical SMILES for 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine is C=C(N1CCN(C(C)C)CC1)C(F)(F)F.
What is the InChIKey of 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
The InChIKey is VMUCZLJQQONPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-8(2)14-4-6-15(7-5-14)9(3)10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine has a molecular weight of 222.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine is sourced from PubChem (CID 170195592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).