3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile

C13H24N4 — CID 80553184

IUPAC3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C13H24N4/c1-11(8-14)9-16-5-4-13(10-16)17-6-2-12(15)3-7-17/h11-13H,2-7,9-10,15H2,1H3
InChIKeyKQPWHJVRYWQQGU-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.64
Rot. Bonds3

About 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile

3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile (PubChem CID 80553184) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile
PubChem CID80553184
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C13H24N4/c1-11(8-14)9-16-5-4-13(10-16)17-6-2-12(15)3-7-17/h11-13H,2-7,9-10,15H2,1H3
InChIKeyKQPWHJVRYWQQGU-UHFFFAOYSA-N
XLogP0.64
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile
CID 80553177
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553218
1-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 106455092
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
3-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methylpropanenitrile
CID 130778622
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992685
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553361
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine
CID 80553821

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile (CID 80553184) is 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile is CC(C#N)CN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile?
The InChIKey is KQPWHJVRYWQQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(8-14)9-16-5-4-13(10-16)17-6-2-12(15)3-7-17/h11-13H,2-7,9-10,15H2,1H3.
What are the key properties of 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile?
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile has a molecular weight of 236.36 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 80553184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).