1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol

C16H24BrNO — CID 83056041

IUPAC1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol
SMILESCCCC1CCCCN1c1ccc(C(C)O)cc1Br
InChIInChI=1S/C16H24BrNO/c1-3-6-14-7-4-5-10-18(14)16-9-8-13(12(2)19)11-15(16)17/h8-9,11-12,14,19H,3-7,10H2,1-2H3
InChIKeyGDQHRJNCOZQRHQ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.66
Rot. Bonds4

About 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol

1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol (PubChem CID 83056041) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol
PubChem CID83056041
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol
SMILESCCCC1CCCCN1c1ccc(C(C)O)cc1Br
InChIInChI=1S/C16H24BrNO/c1-3-6-14-7-4-5-10-18(14)16-9-8-13(12(2)19)11-15(16)17/h8-9,11-12,14,19H,3-7,10H2,1-2H3
InChIKeyGDQHRJNCOZQRHQ-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3-bromo-4-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 104891570
(1S)-1-[3-bromo-4-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939883
[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine
CID 83053330
(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
CID 63368268
1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol
CID 62912700
(1R)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanol
CID 78992812
(1S)-1-[5-fluoro-2-(2-propylpiperidin-1-yl)phenyl]ethanol
CID 83056372
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 78940404
(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
CID 55184827
3-bromo-4-(2-propylpiperidin-1-yl)benzenecarboximidamide
CID 83055859
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690625
(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 78939949

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol (CID 83056041) is 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol is CCCC1CCCCN1c1ccc(C(C)O)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is GDQHRJNCOZQRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-6-14-7-4-5-10-18(14)16-9-8-13(12(2)19)11-15(16)17/h8-9,11-12,14,19H,3-7,10H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol?
1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 326.28 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 83056041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).