3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine

C11H20Cl2N2O — CID 79735554

IUPAC3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(CC(Cl)=CCl)CC1
InChIInChI=1S/C11H20Cl2N2O/c12-8-10(13)9-15-5-2-11(3-6-15)16-7-1-4-14/h8,11H,1-7,9,14H2
InChIKeyGNIUIIKQKYWNST-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.14
Rot. Bonds6

About 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79735554) has the molecular formula C11H20Cl2N2O and a molecular weight of 267.20 g/mol. Its IUPAC name is 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79735554
Molecular FormulaC11H20Cl2N2O
Molecular Weight267.20 g/mol
Exact Mass266.10
IUPAC Name3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(CC(Cl)=CCl)CC1
InChIInChI=1S/C11H20Cl2N2O/c12-8-10(13)9-15-5-2-11(3-6-15)16-7-1-4-14/h8,11H,1-7,9,14H2
InChIKeyGNIUIIKQKYWNST-UHFFFAOYSA-N
XLogP2.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine (CID 79735554) is 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(CC(Cl)=CCl)CC1.
What is the InChIKey of 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is GNIUIIKQKYWNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2N2O/c12-8-10(13)9-15-5-2-11(3-6-15)16-7-1-4-14/h8,11H,1-7,9,14H2.
What are the key properties of 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 267.20 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79735554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).