1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine

C18H36N4 — CID 126802479

IUPAC1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(CC=CCN2CCCC(N(C)C)C2)C1
InChIInChI=1S/C18H36N4/c1-19(2)17-9-7-13-21(15-17)11-5-6-12-22-14-8-10-18(16-22)20(3)4/h5-6,17-18H,7-16H2,1-4H3
InChIKeyXDGXKKZKFVJDKW-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.59
Rot. Bonds6

About 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine

1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 126802479) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine
PubChem CID126802479
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(CC=CCN2CCCC(N(C)C)C2)C1
InChIInChI=1S/C18H36N4/c1-19(2)17-9-7-13-21(15-17)11-5-6-12-22-14-8-10-18(16-22)20(3)4/h5-6,17-18H,7-16H2,1-4H3
InChIKeyXDGXKKZKFVJDKW-UHFFFAOYSA-N
XLogP1.59
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine (CID 126802479) is 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(CC=CCN2CCCC(N(C)C)C2)C1.
What is the InChIKey of 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is XDGXKKZKFVJDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-19(2)17-9-7-13-21(15-17)11-5-6-12-22-14-8-10-18(16-22)20(3)4/h5-6,17-18H,7-16H2,1-4H3.
What are the key properties of 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine?
1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 308.51 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 126802479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).