4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol

C19H21Br2NO2 — CID 14508076

IUPAC4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccc(Br)cc2)C(C(O)c2ccc(Br)cc2)C1
InChIInChI=1S/C19H21Br2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17-18,23-24H,10-12H2,1H3
InChIKeyHENYQHJWPIDBGJ-UHFFFAOYSA-N
MW455.19 g/mol
LogP4.08
Rot. Bonds3

About 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol

4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol (PubChem CID 14508076) has the molecular formula C19H21Br2NO2 and a molecular weight of 455.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol
PubChem CID14508076
Molecular FormulaC19H21Br2NO2
Molecular Weight455.19 g/mol
Exact Mass452.99
IUPAC Name4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccc(Br)cc2)C(C(O)c2ccc(Br)cc2)C1
InChIInChI=1S/C19H21Br2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17-18,23-24H,10-12H2,1H3
InChIKeyHENYQHJWPIDBGJ-UHFFFAOYSA-N
XLogP4.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.19
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Bromophenyl)-1-(4-hydroxybutylamino)-2-phenylheptan-3-ol;hydrochloride
CID 16193814
1-(4-Bromophenyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
CID 369967
1-(4-Bromophenyl)-2-(4-phenyl-1-piperidyl)ethanol
CID 369973
1-(3-Bromobenzyl)-4-(4-bromophenyl)-4-piperidinol
CID 1070039
2-[4-[2-(4-bromophenyl)vinyl]-3,6-dihydro-1(2H)-pyridinyl]-1-phenylethanol hydrochloride
CID 5719919
3-(4-Bromo-phenyl)-1-morpholin-4-yl-hexan-3-ol
CID 6603534
4-(4-Bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol;methanesulfonic acid
CID 14508077
3-(4-Bromophenyl)-1-(4-hydroxybutylamino)-6-methyl-2-phenylheptan-3-ol;hydrochloride
CID 16193816
4-[(4-Bromophenyl)methyl]-1-[2-hydroxy-3-(4-hydroxyphenyl)propyl]piperidin-4-ol
CID 44309182
1-(4-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)-ethanol
CID 44350537
4-{[3-(4-Bromophenyl)-3-hydroxy-2-phenylbutyl]amino}butan-1-ol
CID 16193869
1-(4-Bromophenyl)-2-(piperidin-1-yl)ethanol
CID 234895

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol (CID 14508076) is 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol is CN1CCC(O)(c2ccc(Br)cc2)C(C(O)c2ccc(Br)cc2)C1.
What is the InChIKey of 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol?
The InChIKey is HENYQHJWPIDBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17-18,23-24H,10-12H2,1H3.
What are the key properties of 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol?
4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol has a molecular weight of 455.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 14508076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).