(Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine

C14H26F3N3 — CID 134340500

IUPAC(Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine
SMILESCC/C(C)=C(\N)C(C)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-4-11(2)13(18)12(3)20-9-7-19(8-10-20)6-5-14(15,16)17/h12H,4-10,18H2,1-3H3/b13-11-
InChIKeyGZJSAXWOYQGUEZ-QBFSEMIESA-N
MW293.38 g/mol
LogP2.59
Rot. Bonds5

About (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine

(Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine (PubChem CID 134340500) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine
PubChem CID134340500
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name(Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine
SMILESCC/C(C)=C(\N)C(C)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-4-11(2)13(18)12(3)20-9-7-19(8-10-20)6-5-14(15,16)17/h12H,4-10,18H2,1-3H3/b13-11-
InChIKeyGZJSAXWOYQGUEZ-QBFSEMIESA-N
XLogP2.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine?
The IUPAC name of (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine (CID 134340500) is (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine.
What is the SMILES notation for (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine?
The canonical SMILES for (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine is CC/C(C)=C(\N)C(C)N1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine?
The InChIKey is GZJSAXWOYQGUEZ-QBFSEMIESA-N. The full InChI is InChI=1S/C14H26F3N3/c1-4-11(2)13(18)12(3)20-9-7-19(8-10-20)6-5-14(15,16)17/h12H,4-10,18H2,1-3H3/b13-11-.
What are the key properties of (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine?
(Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine has a molecular weight of 293.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine is sourced from PubChem (CID 134340500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).