2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol

C11H20ClNO — CID 106439843

IUPAC2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol
SMILESCC(=CCl)CN1CCCCC1CCO
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-3-2-4-11(13)5-7-14/h8,11,14H,2-7,9H2,1H3
InChIKeyZFPYRAXUVABYKY-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.37
Rot. Bonds4

About 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol

2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol (PubChem CID 106439843) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol
PubChem CID106439843
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol
SMILESCC(=CCl)CN1CCCCC1CCO
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-3-2-4-11(13)5-7-14/h8,11,14H,2-7,9H2,1H3
InChIKeyZFPYRAXUVABYKY-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 60346184
2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol
CID 60596917
2-[1-(3-Methylbut-2-enyl)piperidin-2-yl]ethanol
CID 60690496
2-[1-(3-Chloro-2-methylpropyl)piperidin-2-yl]ethanol
CID 64232082
2-[1-(2-Methylidenebutyl)piperidin-2-yl]ethanol
CID 66038303
2-[1-(3-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 76871555
2-[1-(4-Chlorobut-2-enyl)piperidin-2-yl]ethanol
CID 77051792
2-[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]ethanol
CID 79173594
2-[1-[2-(Chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol
CID 103067586
[1-[2-(Chloromethyl)prop-2-enyl]piperidin-2-yl]methanol
CID 103067681
8-[2-(Chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 103067868
1-[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 104893914

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol (CID 106439843) is 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol is CC(=CCl)CN1CCCCC1CCO.
What is the InChIKey of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol?
The InChIKey is ZFPYRAXUVABYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-3-2-4-11(13)5-7-14/h8,11,14H,2-7,9H2,1H3.
What are the key properties of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol?
2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol has a molecular weight of 217.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 106439843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).