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

C9H15Cl2NO — CID 79173393

IUPAC[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c10-5-8(11)6-12-4-2-1-3-9(12)7-13/h5,9,13H,1-4,6-7H2
InChIKeyZFTQGHTZWGNLIC-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.15
Rot. Bonds3

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

[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol (PubChem CID 79173393) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is [1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol
PubChem CID79173393
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c10-5-8(11)6-12-4-2-1-3-9(12)7-13/h5,9,13H,1-4,6-7H2
InChIKeyZFTQGHTZWGNLIC-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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)piperidin-2-yl]methanol?
The IUPAC name of [1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol (CID 79173393) is [1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol is OCC1CCCCN1CC(Cl)=CCl.
What is the InChIKey of [1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol?
The InChIKey is ZFTQGHTZWGNLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c10-5-8(11)6-12-4-2-1-3-9(12)7-13/h5,9,13H,1-4,6-7H2.
What are the key properties of [1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol?
[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methanol has a molecular weight of 224.13 g/mol, XLogP of 2.15, 3 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)piperidin-2-yl]methanol is sourced from PubChem (CID 79173393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).