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

C11H19Cl2NO — CID 104893914

IUPAC1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1CC(Cl)=CCl
InChIInChI=1S/C11H19Cl2NO/c1-9(15)6-11-4-2-3-5-14(11)8-10(13)7-12/h7,9,11,15H,2-6,8H2,1H3
InChIKeyIJQFHTMVWHWOKN-UHFFFAOYSA-N
MW252.18 g/mol
LogP2.93
Rot. Bonds4

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

1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol (PubChem CID 104893914) has the molecular formula C11H19Cl2NO and a molecular weight of 252.18 g/mol. Its IUPAC name is 1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
PubChem CID104893914
Molecular FormulaC11H19Cl2NO
Molecular Weight252.18 g/mol
Exact Mass251.08
IUPAC Name1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1CC(Cl)=CCl
InChIInChI=1S/C11H19Cl2NO/c1-9(15)6-11-4-2-3-5-14(11)8-10(13)7-12/h7,9,11,15H,2-6,8H2,1H3
InChIKeyIJQFHTMVWHWOKN-UHFFFAOYSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]ethanol
CID 79173594
[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol
CID 79174008
[1-[(Z)-2,3-dichloroprop-2-enyl]pyrrolidin-2-yl]methanol
CID 131347178
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 114338272
1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
CID 114338113
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439942

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol (CID 104893914) is 1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1CC(Cl)=CCl.
What is the InChIKey of 1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol?
The InChIKey is IJQFHTMVWHWOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2NO/c1-9(15)6-11-4-2-3-5-14(11)8-10(13)7-12/h7,9,11,15H,2-6,8H2,1H3.
What are the key properties of 1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol?
1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol has a molecular weight of 252.18 g/mol, XLogP of 2.93, 4 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-2-yl]propan-2-ol is sourced from PubChem (CID 104893914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).