1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine

C9H16Cl2N2 — CID 79993012

IUPAC1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(CC(Cl)=CCl)C1
InChIInChI=1S/C9H16Cl2N2/c1-7-2-9(12)6-13(4-7)5-8(11)3-10/h3,7,9H,2,4-6,12H2,1H3
InChIKeyAYIBVYYJOSOZRR-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.97
Rot. Bonds2

About 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine

1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine (PubChem CID 79993012) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine
PubChem CID79993012
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(CC(Cl)=CCl)C1
InChIInChI=1S/C9H16Cl2N2/c1-7-2-9(12)6-13(4-7)5-8(11)3-10/h3,7,9H,2,4-6,12H2,1H3
InChIKeyAYIBVYYJOSOZRR-UHFFFAOYSA-N
XLogP1.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde
CID 87393131
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 79993534
1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 79992959
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 79993447
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547
2-[1-(2,3-dichloroprop-2-enyl)azetidin-3-yl]propanoic acid
CID 104892422
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclohexyl-N-ethylacetamide
CID 79992651
5-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-3-amine
CID 79993699
5-methyl-1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 79992771
N-[2-(3-amino-5-methylpiperidin-1-yl)ethyl]acetamide
CID 79993303
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 79994225
2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 79994575

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine (CID 79993012) is 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine is CC1CC(N)CN(CC(Cl)=CCl)C1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine?
The InChIKey is AYIBVYYJOSOZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2N2/c1-7-2-9(12)6-13(4-7)5-8(11)3-10/h3,7,9H,2,4-6,12H2,1H3.
What are the key properties of 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine?
1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine has a molecular weight of 223.15 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 79993012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).