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

C10H18Cl2N2 — CID 79173181

IUPAC1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC(Cl)=CCl)CC1
InChIInChI=1S/C10H18Cl2N2/c1-8(13)9-2-4-14(5-3-9)7-10(12)6-11/h6,8-9H,2-5,7,13H2,1H3
InChIKeyFZQHFRSOYVKCDL-UHFFFAOYSA-N
MW237.17 g/mol
LogP2.36
Rot. Bonds3

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

1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine (PubChem CID 79173181) has the molecular formula C10H18Cl2N2 and a molecular weight of 237.17 g/mol. Its IUPAC name is 1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine
PubChem CID79173181
Molecular FormulaC10H18Cl2N2
Molecular Weight237.17 g/mol
Exact Mass236.08
IUPAC Name1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC(Cl)=CCl)CC1
InChIInChI=1S/C10H18Cl2N2/c1-8(13)9-2-4-14(5-3-9)7-10(12)6-11/h6,8-9H,2-5,7,13H2,1H3
InChIKeyFZQHFRSOYVKCDL-UHFFFAOYSA-N
XLogP2.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine (CID 79173181) is 1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine is CC(N)C1CCN(CC(Cl)=CCl)CC1.
What is the InChIKey of 1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine?
The InChIKey is FZQHFRSOYVKCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2N2/c1-8(13)9-2-4-14(5-3-9)7-10(12)6-11/h6,8-9H,2-5,7,13H2,1H3.
What are the key properties of 1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine?
1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine has a molecular weight of 237.17 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 79173181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).