3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol

C16H24BrNO2 — CID 110536370

IUPAC3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCCOc1ccc(CC2CN(C)CCC2O)cc1Br
InChIInChI=1S/C16H24BrNO2/c1-3-8-20-16-5-4-12(10-14(16)17)9-13-11-18(2)7-6-15(13)19/h4-5,10,13,15,19H,3,6-9,11H2,1-2H3
InChIKeyUJVLJTHRIYWNGR-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.09
Rot. Bonds5

About 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol

3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 110536370) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID110536370
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCCOc1ccc(CC2CN(C)CCC2O)cc1Br
InChIInChI=1S/C16H24BrNO2/c1-3-8-20-16-5-4-12(10-14(16)17)9-13-11-18(2)7-6-15(13)19/h4-5,10,13,15,19H,3,6-9,11H2,1-2H3
InChIKeyUJVLJTHRIYWNGR-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538204
2-[(3-bromo-4-propoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 110535509
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110535252
3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251
3-[(3,5-dibromo-4-hydroxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110533825
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
3-[(2-heptoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537623
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol (CID 110536370) is 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol is CCCOc1ccc(CC2CN(C)CCC2O)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is UJVLJTHRIYWNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-8-20-16-5-4-12(10-14(16)17)9-13-11-18(2)7-6-15(13)19/h4-5,10,13,15,19H,3,6-9,11H2,1-2H3.
What are the key properties of 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol?
3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 342.28 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 110536370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).