5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile

C14H26N4 — CID 80553177

IUPAC5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H26N4/c15-7-2-1-3-8-17-9-6-14(12-17)18-10-4-13(16)5-11-18/h13-14H,1-6,8-12,16H2
InChIKeyBJGIQDUDIGCRSE-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.18
Rot. Bonds5

About 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile

5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile (PubChem CID 80553177) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile
PubChem CID80553177
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H26N4/c15-7-2-1-3-8-17-9-6-14(12-17)18-10-4-13(16)5-11-18/h13-14H,1-6,8-12,16H2
InChIKeyBJGIQDUDIGCRSE-UHFFFAOYSA-N
XLogP1.18
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3S)-3-aminopyrrolidin-1-yl]butanenitrile
CID 94340658
1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
CID 80553977
5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 62063600
1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine
CID 107008057
5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 54966168
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile
CID 80553184
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propanoic acid
CID 80553786
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
1-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 106455092

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile (CID 80553177) is 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile is N#CCCCCN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile?
The InChIKey is BJGIQDUDIGCRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c15-7-2-1-3-8-17-9-6-14(12-17)18-10-4-13(16)5-11-18/h13-14H,1-6,8-12,16H2.
What are the key properties of 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile?
5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile has a molecular weight of 250.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 80553177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).