2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile

C16H30N4 — CID 64727681

IUPAC2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
SMILESCC(CC(C)(N)C#N)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H30N4/c1-14(12-16(2,18)13-17)19-10-6-15(7-11-19)20-8-4-3-5-9-20/h14-15H,3-12,18H2,1-2H3
InChIKeyBPJWNPHYUBNGDQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.96
Rot. Bonds4

About 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile

2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile (PubChem CID 64727681) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
PubChem CID64727681
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
SMILESCC(CC(C)(N)C#N)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H30N4/c1-14(12-16(2,18)13-17)19-10-6-15(7-11-19)20-8-4-3-5-9-20/h14-15H,3-12,18H2,1-2H3
InChIKeyBPJWNPHYUBNGDQ-UHFFFAOYSA-N
XLogP1.96
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64725328
2-amino-4-(4-tert-butylazepan-1-yl)-2-methylpentanenitrile
CID 64728336
2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile
CID 64727482
2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64725330
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64728323
2-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentanenitrile
CID 64725681
2-amino-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanenitrile
CID 63165465
4-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-amine
CID 62428370
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 22674972
3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine
CID 62569572
3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61217888
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile (CID 64727681) is 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile is CC(CC(C)(N)C#N)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile?
The InChIKey is BPJWNPHYUBNGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-14(12-16(2,18)13-17)19-10-6-15(7-11-19)20-8-4-3-5-9-20/h14-15H,3-12,18H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile?
2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile has a molecular weight of 278.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 64727681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).