1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol

C15H23NO3 — CID 82304157

IUPAC1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol
SMILESCOc1ccc(C(C)(O)C2CCNCC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-15(17,11-6-8-16-9-7-11)13-5-4-12(18-2)10-14(13)19-3/h4-5,10-11,16-17H,6-9H2,1-3H3
InChIKeyABAKLLZUWGWOHQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.91
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol

1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol (PubChem CID 82304157) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol
PubChem CID82304157
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol
SMILESCOc1ccc(C(C)(O)C2CCNCC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-15(17,11-6-8-16-9-7-11)13-5-4-12(18-2)10-14(13)19-3/h4-5,10-11,16-17H,6-9H2,1-3H3
InChIKeyABAKLLZUWGWOHQ-UHFFFAOYSA-N
XLogP1.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Desmethylvenlafaxine
CID 3501942
2-(2,4-Dimethoxyphenyl)ethan-1-amine
CID 417604
2-Hexylaminomethyl-chroman-7-ol; oxalic acid
CID 10220913
2-Propylaminomethyl-chroman-7-ol; oxalic acid
CID 10513189
3-((4-Methoxyphenyl)methyl)piperidine
CID 3818672
4-(4-Methoxyphenyl)piperidine hydrochloride
CID 22252853
N-Desmethylvenlafaxine, (S)-
CID 9860056
3,5-Dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol
CID 16746303
2-[3-(Diethylamino)-1-(4-methoxyphenyl)propyl]-3,5-dimethoxyphenol
CID 16746304
3,5-Dimethoxy-2-[1-(4-methoxyphenyl)-3-morpholin-4-ylpropyl]phenol
CID 16746467
3,5-Dimethoxy-2-[1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]phenol
CID 16746476
3-Fluoro-5-(phenyl-piperidin-4-yl-methoxy)-phenol
CID 44367726

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol (CID 82304157) is 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol is COc1ccc(C(C)(O)C2CCNCC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol?
The InChIKey is ABAKLLZUWGWOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(17,11-6-8-16-9-7-11)13-5-4-12(18-2)10-14(13)19-3/h4-5,10-11,16-17H,6-9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol?
1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol has a molecular weight of 265.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 82304157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).