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

C16H24ClNO3 — CID 110537925

IUPAC3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCOc1cc(CC2CN(C)CCC2O)cc(Cl)c1OC
InChIInChI=1S/C16H24ClNO3/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
InChIKeyMXEJQUQODULWCJ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.60
Rot. Bonds5

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

3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 110537925) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID110537925
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCOc1cc(CC2CN(C)CCC2O)cc(Cl)c1OC
InChIInChI=1S/C16H24ClNO3/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
InChIKeyMXEJQUQODULWCJ-UHFFFAOYSA-N
XLogP2.60
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536370
1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 120909190
3-[(3,5-dibromo-4-hydroxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110533825
3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538204
3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535975
2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 83979744
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 86849128

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol (CID 110537925) is 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol is CCOc1cc(CC2CN(C)CCC2O)cc(Cl)c1OC.
What is the InChIKey of 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is MXEJQUQODULWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/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-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 313.83 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 110537925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).