1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine

C13H21F3N2 — CID 166844171

IUPAC1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine
SMILESC=C(N1CCN(C(C)C)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2/c1-10(2)17-6-8-18(9-7-17)11(3)12(4-5-12)13(14,15)16/h10H,3-9H2,1-2H3
InChIKeyBEGDEFIAYLKKSQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.87
Rot. Bonds3

About 1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine

1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine (PubChem CID 166844171) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine
PubChem CID166844171
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine
SMILESC=C(N1CCN(C(C)C)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2/c1-10(2)17-6-8-18(9-7-17)11(3)12(4-5-12)13(14,15)16/h10H,3-9H2,1-2H3
InChIKeyBEGDEFIAYLKKSQ-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 166844072
CID 166844072
CID 166844073
CID 166844073
CID 166844115
CID 166844115
CID 166844128
CID 166844128
CID 166844145
CID 166844145
CID 170569368
CID 170569368
CID 170195595
CID 170195595
CID 170195603
CID 170195603

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine (CID 166844171) is 1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine is C=C(N1CCN(C(C)C)CC1)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine?
The InChIKey is BEGDEFIAYLKKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-10(2)17-6-8-18(9-7-17)11(3)12(4-5-12)13(14,15)16/h10H,3-9H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine?
1-propan-2-yl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine has a molecular weight of 262.32 g/mol, XLogP of 2.87, 3 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-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine is sourced from PubChem (CID 166844171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).