2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol

C20H25NO3 — CID 70094262

IUPAC2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol
SMILESCOc1ccc(N2CCCC(O)C2Cc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-23-19-11-10-16(14-20(19)24-2)21-12-6-9-18(22)17(21)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17-18,22H,6,9,12-13H2,1-2H3
InChIKeyIIEUFJLVRFIHGA-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.28
Rot. Bonds5

About 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol

2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol (PubChem CID 70094262) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol
PubChem CID70094262
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol
SMILESCOc1ccc(N2CCCC(O)C2Cc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-23-19-11-10-16(14-20(19)24-2)21-12-6-9-18(22)17(21)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17-18,22H,6,9,12-13H2,1-2H3
InChIKeyIIEUFJLVRFIHGA-UHFFFAOYSA-N
XLogP3.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol
CID 117028012
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine
CID 23627508
5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine
CID 74071633
(2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine
CID 23627266
(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine
CID 23627568
2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 141157601
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
CID 58189146
1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one
CID 66824781

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol?
The IUPAC name of 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol (CID 70094262) is 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol.
What is the SMILES notation for 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol?
The canonical SMILES for 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol is COc1ccc(N2CCCC(O)C2Cc2ccccc2)cc1OC.
What is the InChIKey of 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol?
The InChIKey is IIEUFJLVRFIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-23-19-11-10-16(14-20(19)24-2)21-12-6-9-18(22)17(21)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17-18,22H,6,9,12-13H2,1-2H3.
What are the key properties of 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol?
2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol has a molecular weight of 327.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol is sourced from PubChem (CID 70094262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).