1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol

C16H24BrNO2 — CID 62910076

IUPAC1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol
SMILESCCCOC1CCCN(c2ccc(C(C)O)cc2Br)C1
InChIInChI=1S/C16H24BrNO2/c1-3-9-20-14-5-4-8-18(11-14)16-7-6-13(12(2)19)10-15(16)17/h6-7,10,12,14,19H,3-5,8-9,11H2,1-2H3
InChIKeyFCQIKZHQCSQYTK-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.90
Rot. Bonds5

About 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol

1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol (PubChem CID 62910076) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol
PubChem CID62910076
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol
SMILESCCCOC1CCCN(c2ccc(C(C)O)cc2Br)C1
InChIInChI=1S/C16H24BrNO2/c1-3-9-20-14-5-4-8-18(11-14)16-7-6-13(12(2)19)10-15(16)17/h6-7,10,12,14,19H,3-5,8-9,11H2,1-2H3
InChIKeyFCQIKZHQCSQYTK-UHFFFAOYSA-N
XLogP3.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 62910229
(1R)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanol
CID 78992812
3-bromo-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 82800266
5-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 54985623
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196774
1-[4-(azepan-1-yl)-3-bromophenyl]ethanol
CID 62907818
1-[5-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967366
4-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 65343390
1-[3-bromo-4-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626299
N-[1-[3-bromo-4-(3-methoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 102959023
2-bromo-3-fluoro-4-(3-propoxypiperidin-1-yl)benzoic acid
CID 107540244
1-[4-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967445

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol (CID 62910076) is 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol is CCCOC1CCCN(c2ccc(C(C)O)cc2Br)C1.
What is the InChIKey of 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol?
The InChIKey is FCQIKZHQCSQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-9-20-14-5-4-8-18(11-14)16-7-6-13(12(2)19)10-15(16)17/h6-7,10,12,14,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol?
1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol has a molecular weight of 342.28 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 62910076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).