5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one

C12H22BrNO2 — CID 70082054

IUPAC5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one
SMILESO=C(CCCCBr)N1CCC(CCO)CC1
InChIInChI=1S/C12H22BrNO2/c13-7-2-1-3-12(16)14-8-4-11(5-9-14)6-10-15/h11,15H,1-10H2
InChIKeySBMNBSALHAUFHY-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.17
Rot. Bonds6

About 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one

5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one (PubChem CID 70082054) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one
PubChem CID70082054
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC Name5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one
SMILESO=C(CCCCBr)N1CCC(CCO)CC1
InChIInChI=1S/C12H22BrNO2/c13-7-2-1-3-12(16)14-8-4-11(5-9-14)6-10-15/h11,15H,1-10H2
InChIKeySBMNBSALHAUFHY-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one 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 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one (CID 70082054) is 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one is O=C(CCCCBr)N1CCC(CCO)CC1.
What is the InChIKey of 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is SBMNBSALHAUFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c13-7-2-1-3-12(16)14-8-4-11(5-9-14)6-10-15/h11,15H,1-10H2.
What are the key properties of 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one?
5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 292.22 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 70082054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).