2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile

C17H24N4 — CID 116692537

IUPAC2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile
SMILESN#CC(N)(CCN1CCN(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H24N4/c18-14-17(19,15-4-2-1-3-5-15)8-9-20-10-12-21(13-11-20)16-6-7-16/h1-5,16H,6-13,19H2
InChIKeyWTHPANJLROMWLH-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.53
Rot. Bonds5

About 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile

2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile (PubChem CID 116692537) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile
PubChem CID116692537
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile
SMILESN#CC(N)(CCN1CCN(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H24N4/c18-14-17(19,15-4-2-1-3-5-15)8-9-20-10-12-21(13-11-20)16-6-7-16/h1-5,16H,6-13,19H2
InChIKeyWTHPANJLROMWLH-UHFFFAOYSA-N
XLogP1.53
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692281
2-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692648
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692385
2-amino-3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropan-1-ol
CID 64826847
2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
CID 116692280
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile
CID 116692576
2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile
CID 62091469
2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile
CID 114157788
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 24842565
2-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-phenylbutanenitrile
CID 116692734

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile (CID 116692537) is 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile is N#CC(N)(CCN1CCN(C2CC2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile?
The InChIKey is WTHPANJLROMWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c18-14-17(19,15-4-2-1-3-5-15)8-9-20-10-12-21(13-11-20)16-6-7-16/h1-5,16H,6-13,19H2.
What are the key properties of 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile?
2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile has a molecular weight of 284.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile is sourced from PubChem (CID 116692537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).