1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol

C9H15Cl2NO — CID 81002351

IUPAC1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CC(Cl)=CCl)CC1
InChIInChI=1S/C9H15Cl2NO/c1-9(13)2-4-12(5-3-9)7-8(11)6-10/h6,13H,2-5,7H2,1H3
InChIKeyJKYKDGUCDLKZQW-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.15
Rot. Bonds2

About 1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol

1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol (PubChem CID 81002351) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol
PubChem CID81002351
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CC(Cl)=CCl)CC1
InChIInChI=1S/C9H15Cl2NO/c1-9(13)2-4-12(5-3-9)7-8(11)6-10/h6,13H,2-5,7H2,1H3
InChIKeyJKYKDGUCDLKZQW-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol (CID 81002351) is 1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol is CC1(O)CCN(CC(Cl)=CCl)CC1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol?
The InChIKey is JKYKDGUCDLKZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-9(13)2-4-12(5-3-9)7-8(11)6-10/h6,13H,2-5,7H2,1H3.
What are the key properties of 1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol?
1-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol has a molecular weight of 224.13 g/mol, XLogP of 2.15, 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)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81002351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).