3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol

C16H24BrNO3 — CID 110535252

IUPAC3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCOc1cc(CC2CN(C)CCC2O)cc(Br)c1OC
InChIInChI=1S/C16H24BrNO3/c1-4-21-15-9-11(8-13(17)16(15)20-3)7-12-10-18(2)6-5-14(12)19/h8-9,12,14,19H,4-7,10H2,1-3H3
InChIKeyBCUMMEXPDKNEPX-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.71
Rot. Bonds5

About 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol

3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 110535252) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID110535252
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCOc1cc(CC2CN(C)CCC2O)cc(Br)c1OC
InChIInChI=1S/C16H24BrNO3/c1-4-21-15-9-11(8-13(17)16(15)20-3)7-12-10-18(2)6-5-14(12)19/h8-9,12,14,19H,4-7,10H2,1-3H3
InChIKeyBCUMMEXPDKNEPX-UHFFFAOYSA-N
XLogP2.71
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
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-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536370
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536604
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 16766052
4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine
CID 170870300
[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]methanamine
CID 117460838
3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538204
2-[4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 30627665
2-[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]ethanamine
CID 117483419

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol (CID 110535252) is 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol is CCOc1cc(CC2CN(C)CCC2O)cc(Br)c1OC.
What is the InChIKey of 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is BCUMMEXPDKNEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-4-21-15-9-11(8-13(17)16(15)20-3)7-12-10-18(2)6-5-14(12)19/h8-9,12,14,19H,4-7,10H2,1-3H3.
What are the key properties of 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 358.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 110535252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).