3-aminopiperidine-3-carbonitrile

C6H11N3 — CID 79303333

IUPAC3-aminopiperidine-3-carbonitrile
SMILESN#CC1(N)CCCNC1
InChIInChI=1S/C6H11N3/c7-4-6(8)2-1-3-9-5-6/h9H,1-3,5,8H2
InChIKeyQFUVCDHRYNGFAQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.41
Rot. Bonds

About 3-aminopiperidine-3-carbonitrile

3-aminopiperidine-3-carbonitrile (PubChem CID 79303333) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-aminopiperidine-3-carbonitrile.

Molecular Properties

Compound Name3-aminopiperidine-3-carbonitrile
PubChem CID79303333
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-aminopiperidine-3-carbonitrile
SMILESN#CC1(N)CCCNC1
InChIInChI=1S/C6H11N3/c7-4-6(8)2-1-3-9-5-6/h9H,1-3,5,8H2
InChIKeyQFUVCDHRYNGFAQ-UHFFFAOYSA-N
XLogP-0.41
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminopiperidine-3-carbonitrile?
The IUPAC name of 3-aminopiperidine-3-carbonitrile (CID 79303333) is 3-aminopiperidine-3-carbonitrile.
What is the SMILES notation for 3-aminopiperidine-3-carbonitrile?
The canonical SMILES for 3-aminopiperidine-3-carbonitrile is N#CC1(N)CCCNC1.
What is the InChIKey of 3-aminopiperidine-3-carbonitrile?
The InChIKey is QFUVCDHRYNGFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-4-6(8)2-1-3-9-5-6/h9H,1-3,5,8H2.
What are the key properties of 3-aminopiperidine-3-carbonitrile?
3-aminopiperidine-3-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopiperidine-3-carbonitrile is sourced from PubChem (CID 79303333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).