2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol

C10H18BrNO — CID 62020830

IUPAC2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
SMILESC=C(Br)CN1CCCCC1CCO
InChIInChI=1S/C10H18BrNO/c1-9(11)8-12-6-3-2-4-10(12)5-7-13/h10,13H,1-8H2
InChIKeyLJONEMSGVHLHHL-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.13
Rot. Bonds4

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

2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol (PubChem CID 62020830) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
PubChem CID62020830
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
SMILESC=C(Br)CN1CCCCC1CCO
InChIInChI=1S/C10H18BrNO/c1-9(11)8-12-6-3-2-4-10(12)5-7-13/h10,13H,1-8H2
InChIKeyLJONEMSGVHLHHL-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol (CID 62020830) is 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol is C=C(Br)CN1CCCCC1CCO.
What is the InChIKey of 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol?
The InChIKey is LJONEMSGVHLHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(11)8-12-6-3-2-4-10(12)5-7-13/h10,13H,1-8H2.
What are the key properties of 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol?
2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol has a molecular weight of 248.16 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 62020830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).