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

C11H20BrNO2 — CID 107908372

IUPAC5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
SMILESO=C(CCCCBr)N1CCCCC1CO
InChIInChI=1S/C11H20BrNO2/c12-7-3-1-6-11(15)13-8-4-2-5-10(13)9-14/h10,14H,1-9H2
InChIKeyHEBLEJPNWHVYPM-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.92
Rot. Bonds5

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

5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one (PubChem CID 107908372) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
PubChem CID107908372
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
SMILESO=C(CCCCBr)N1CCCCC1CO
InChIInChI=1S/C11H20BrNO2/c12-7-3-1-6-11(15)13-8-4-2-5-10(13)9-14/h10,14H,1-9H2
InChIKeyHEBLEJPNWHVYPM-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.92
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'}

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Related Compounds

5-hydroxy-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 79199717
4-hydroxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116640578
6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43579311
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
1-[2-(hydroxymethyl)azepan-1-yl]-4-methoxybutan-1-one
CID 116635836
6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 53399018
4-ethoxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116635896
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-sulfanylbutan-1-one
CID 146330782
4-chloro-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107216553
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 63951763
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one (CID 107908372) is 5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one is O=C(CCCCBr)N1CCCCC1CO.
What is the InChIKey of 5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is HEBLEJPNWHVYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c12-7-3-1-6-11(15)13-8-4-2-5-10(13)9-14/h10,14H,1-9H2.
What are the key properties of 5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one?
5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 278.19 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 107908372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).