4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile

C11H21N3O — CID 28702869

IUPAC4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile
SMILESCOCCCNC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-14-7-4-11(10-12,5-8-14)13-6-3-9-15-2/h13H,3-9H2,1-2H3
InChIKeyBNRGNQZOKMLOIH-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.60
Rot. Bonds5

About 4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile

4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile (PubChem CID 28702869) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile
PubChem CID28702869
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile
SMILESCOCCCNC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-14-7-4-11(10-12,5-8-14)13-6-3-9-15-2/h13H,3-9H2,1-2H3
InChIKeyBNRGNQZOKMLOIH-UHFFFAOYSA-N
XLogP0.60
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.60
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-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile (CID 28702869) is 4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile is COCCCNC1(C#N)CCN(C)CC1.
What is the InChIKey of 4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile?
The InChIKey is BNRGNQZOKMLOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14-7-4-11(10-12,5-8-14)13-6-3-9-15-2/h13H,3-9H2,1-2H3.
What are the key properties of 4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile?
4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile has a molecular weight of 211.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylamino)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 28702869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).