3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol

C16H23Cl2NO3 — CID 110535975

IUPAC3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2cc(Cl)c(OC)c(Cl)c2OC)C1
InChIInChI=1S/C16H23Cl2NO3/c1-4-19-6-5-13(20)11(9-19)7-10-8-12(17)16(22-3)14(18)15(10)21-2/h8,11,13,20H,4-7,9H2,1-3H3
InChIKeyXTSDOFPGFNVDSA-UHFFFAOYSA-N
MW348.27 g/mol
LogP3.26
Rot. Bonds5

About 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol

3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 110535975) has the molecular formula C16H23Cl2NO3 and a molecular weight of 348.27 g/mol. Its IUPAC name is 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID110535975
Molecular FormulaC16H23Cl2NO3
Molecular Weight348.27 g/mol
Exact Mass347.11
IUPAC Name3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2cc(Cl)c(OC)c(Cl)c2OC)C1
InChIInChI=1S/C16H23Cl2NO3/c1-4-19-6-5-13(20)11(9-19)7-10-8-12(17)16(22-3)14(18)15(10)21-2/h8,11,13,20H,4-7,9H2,1-3H3
InChIKeyXTSDOFPGFNVDSA-UHFFFAOYSA-N
XLogP3.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloro-2,4-dimethoxybenzyl)-4,4-difluoropiperidine
CID 77082730
1-(5-Chloro-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)piperidin-4-ol
CID 77083562
6-Chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol
CID 117403497
4-Chloro-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117403498
4-(5-Chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine
CID 117437140
6-Chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117437157
4-Chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117437158
6-Chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 117437164
4-Chloro-2-fluoro-3-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117437165
3-[(5-Chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117464467
4-[(5-Chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117464472
4-(5-Chloro-2,4-dimethoxybenzyl)-2-ethyl-1-isopropylpiperazine
CID 56893912

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol (CID 110535975) is 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)C(Cc2cc(Cl)c(OC)c(Cl)c2OC)C1.
What is the InChIKey of 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is XTSDOFPGFNVDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO3/c1-4-19-6-5-13(20)11(9-19)7-10-8-12(17)16(22-3)14(18)15(10)21-2/h8,11,13,20H,4-7,9H2,1-3H3.
What are the key properties of 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 348.27 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 110535975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).