2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol

C11H20ClNO — CID 77051792

IUPAC2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC=CCCl
InChIInChI=1S/C11H20ClNO/c12-7-2-4-9-13-8-3-1-5-11(13)6-10-14/h2,4,11,14H,1,3,5-10H2
InChIKeySMCXCBPAEGKFIM-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.02
Rot. Bonds5

About 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol

2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol (PubChem CID 77051792) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol
PubChem CID77051792
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC=CCCl
InChIInChI=1S/C11H20ClNO/c12-7-2-4-9-13-8-3-1-5-11(13)6-10-14/h2,4,11,14H,1,3,5-10H2
InChIKeySMCXCBPAEGKFIM-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol (CID 77051792) is 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol is OCCC1CCCCN1CC=CCCl.
What is the InChIKey of 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol?
The InChIKey is SMCXCBPAEGKFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-7-2-4-9-13-8-3-1-5-11(13)6-10-14/h2,4,11,14H,1,3,5-10H2.
What are the key properties of 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol?
2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol has a molecular weight of 217.74 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobut-2-enyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 77051792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).