4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile

C10H19N3O — CID 59854953

IUPAC4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile
SMILESCOCCCN1CCC(N)(C#N)CC1
InChIInChI=1S/C10H19N3O/c1-14-8-2-5-13-6-3-10(12,9-11)4-7-13/h2-8,12H2,1H3
InChIKeyZJJHBQTZJBBURF-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.34
Rot. Bonds4

About 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile

4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile (PubChem CID 59854953) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile
PubChem CID59854953
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile
SMILESCOCCCN1CCC(N)(C#N)CC1
InChIInChI=1S/C10H19N3O/c1-14-8-2-5-13-6-3-10(12,9-11)4-7-13/h2-8,12H2,1H3
InChIKeyZJJHBQTZJBBURF-UHFFFAOYSA-N
XLogP0.34
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.34
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile (CID 59854953) is 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile is COCCCN1CCC(N)(C#N)CC1.
What is the InChIKey of 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile?
The InChIKey is ZJJHBQTZJBBURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-14-8-2-5-13-6-3-10(12,9-11)4-7-13/h2-8,12H2,1H3.
What are the key properties of 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile?
4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile has a molecular weight of 197.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methoxypropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 59854953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).