1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol

C15H23NO3 — CID 56686974

IUPAC1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
SMILESCOc1ccc(C(O)CN2CCCCC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-18-14-7-6-12(10-15(14)19-2)13(17)11-16-8-4-3-5-9-16/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyWMSBHJYKSBATJQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol

1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol (PubChem CID 56686974) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
PubChem CID56686974
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
SMILESCOc1ccc(C(O)CN2CCCCC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-18-14-7-6-12(10-15(14)19-2)13(17)11-16-8-4-3-5-9-16/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyWMSBHJYKSBATJQ-UHFFFAOYSA-N
XLogP2.22
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 95104680
(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 95104734
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
2-[4-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 13298564
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82122257

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol (CID 56686974) is 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol is COc1ccc(C(O)CN2CCCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol?
The InChIKey is WMSBHJYKSBATJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-14-7-6-12(10-15(14)19-2)13(17)11-16-8-4-3-5-9-16/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol?
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol has a molecular weight of 265.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 56686974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).