3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine

C12H24N2O — CID 79735047

IUPAC3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine
SMILESC=CC(C)N1CCC(OCCCN)CC1
InChIInChI=1S/C12H24N2O/c1-3-11(2)14-8-5-12(6-9-14)15-10-4-7-13/h3,11-12H,1,4-10,13H2,2H3
InChIKeyRCKNZIGCTGAWMG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds6

About 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine

3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine (PubChem CID 79735047) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine
PubChem CID79735047
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine
SMILESC=CC(C)N1CCC(OCCCN)CC1
InChIInChI=1S/C12H24N2O/c1-3-11(2)14-8-5-12(6-9-14)15-10-4-7-13/h3,11-12H,1,4-10,13H2,2H3
InChIKeyRCKNZIGCTGAWMG-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine?
The IUPAC name of 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine (CID 79735047) is 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine?
The canonical SMILES for 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine is C=CC(C)N1CCC(OCCCN)CC1.
What is the InChIKey of 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine?
The InChIKey is RCKNZIGCTGAWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-11(2)14-8-5-12(6-9-14)15-10-4-7-13/h3,11-12H,1,4-10,13H2,2H3.
What are the key properties of 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine?
3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-but-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 79735047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).