2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile

C14H23F3N4 — CID 62967769

IUPAC2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
SMILESCC(C#N)(CCN1CCN(CC(F)(F)F)CC1)NC1CC1
InChIInChI=1S/C14H23F3N4/c1-13(10-18,19-12-2-3-12)4-5-20-6-8-21(9-7-20)11-14(15,16)17/h12,19H,2-9,11H2,1H3
InChIKeyNPIHDLRIDAMTLJ-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.59
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile

2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile (PubChem CID 62967769) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
PubChem CID62967769
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
SMILESCC(C#N)(CCN1CCN(CC(F)(F)F)CC1)NC1CC1
InChIInChI=1S/C14H23F3N4/c1-13(10-18,19-12-2-3-12)4-5-20-6-8-21(9-7-20)11-14(15,16)17/h12,19H,2-9,11H2,1H3
InChIKeyNPIHDLRIDAMTLJ-UHFFFAOYSA-N
XLogP1.59
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
CID 55140971
2-(Cyclopropylamino)-2-methyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 61896454
2-(Cyclopropylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 61897069
2-(Cyclopropylamino)-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 61898125
2-(Cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanenitrile
CID 61898751
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(methylamino)butanenitrile
CID 61898964
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 61898965
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 61899172
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 61899173
2-(Ethylamino)-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanenitrile
CID 62967766
2-Methyl-2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanenitrile
CID 62967767
2-Methyl-2-(propan-2-ylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanenitrile
CID 62967768

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile (CID 62967769) is 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile is CC(C#N)(CCN1CCN(CC(F)(F)F)CC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile?
The InChIKey is NPIHDLRIDAMTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-13(10-18,19-12-2-3-12)4-5-20-6-8-21(9-7-20)11-14(15,16)17/h12,19H,2-9,11H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile?
2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile has a molecular weight of 304.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 62967769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).