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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Related Compounds

1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol
CID 103774523
1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol
CID 106439879
1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine
CID 79173181
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 80703621
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-(4-fluorophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propan-2-one
CID 81103142
8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 106438488
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate
CID 80702994

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).