4-amino-1-methylpiperidine-4-carbonitrile

C7H13N3 — CID 11434991

IUPAC4-amino-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(N)(C#N)CC1
InChIInChI=1S/C7H13N3/c1-10-4-2-7(9,6-8)3-5-10/h2-5,9H2,1H3
InChIKeyHUTRESLXFRPBOW-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.07
Rot. Bonds

About 4-amino-1-methylpiperidine-4-carbonitrile

4-amino-1-methylpiperidine-4-carbonitrile (PubChem CID 11434991) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-amino-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-methylpiperidine-4-carbonitrile
PubChem CID11434991
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-amino-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(N)(C#N)CC1
InChIInChI=1S/C7H13N3/c1-10-4-2-7(9,6-8)3-5-10/h2-5,9H2,1H3
InChIKeyHUTRESLXFRPBOW-UHFFFAOYSA-N
XLogP-0.07
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-methylpiperidine-4-carbonitrile (CID 11434991) is 4-amino-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-methylpiperidine-4-carbonitrile is CN1CCC(N)(C#N)CC1.
What is the InChIKey of 4-amino-1-methylpiperidine-4-carbonitrile?
The InChIKey is HUTRESLXFRPBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-4-2-7(9,6-8)3-5-10/h2-5,9H2,1H3.
What are the key properties of 4-amino-1-methylpiperidine-4-carbonitrile?
4-amino-1-methylpiperidine-4-carbonitrile has a molecular weight of 139.20 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 11434991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).