4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile

C17H34N4 — CID 64726697

IUPAC4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H34N4/c1-7-8-19-17(6,14-18)13-15(2)20-9-11-21(12-10-20)16(3,4)5/h15,19H,7-13H2,1-6H3
InChIKeyHIYBRZDEMFDZRU-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.46
Rot. Bonds6

About 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile

4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile (PubChem CID 64726697) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
PubChem CID64726697
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H34N4/c1-7-8-19-17(6,14-18)13-15(2)20-9-11-21(12-10-20)16(3,4)5/h15,19H,7-13H2,1-6H3
InChIKeyHIYBRZDEMFDZRU-UHFFFAOYSA-N
XLogP2.46
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile (CID 64726697) is 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile?
The InChIKey is HIYBRZDEMFDZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-7-8-19-17(6,14-18)13-15(2)20-9-11-21(12-10-20)16(3,4)5/h15,19H,7-13H2,1-6H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile?
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile has a molecular weight of 294.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 64726697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).