1-benzyl-2-methoxypiperidin-3-ol

C13H19NO2 — CID 70527191

IUPAC1-benzyl-2-methoxypiperidin-3-ol
SMILESCOC1C(O)CCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-16-13-12(15)8-5-9-14(13)10-11-6-3-2-4-7-11/h2-4,6-7,12-13,15H,5,8-10H2,1H3
InChIKeyMRSYNXMRSNMXJI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds3

About 1-benzyl-2-methoxypiperidin-3-ol

1-benzyl-2-methoxypiperidin-3-ol (PubChem CID 70527191) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-benzyl-2-methoxypiperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-2-methoxypiperidin-3-ol
PubChem CID70527191
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-benzyl-2-methoxypiperidin-3-ol
SMILESCOC1C(O)CCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-16-13-12(15)8-5-9-14(13)10-11-6-3-2-4-7-11/h2-4,6-7,12-13,15H,5,8-10H2,1H3
InChIKeyMRSYNXMRSNMXJI-UHFFFAOYSA-N
XLogP1.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
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methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-benzyl-3-methoxypiperidin-4-ol
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2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
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1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
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(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methoxypiperidin-3-ol?
The IUPAC name of 1-benzyl-2-methoxypiperidin-3-ol (CID 70527191) is 1-benzyl-2-methoxypiperidin-3-ol.
What is the SMILES notation for 1-benzyl-2-methoxypiperidin-3-ol?
The canonical SMILES for 1-benzyl-2-methoxypiperidin-3-ol is COC1C(O)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methoxypiperidin-3-ol?
The InChIKey is MRSYNXMRSNMXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13-12(15)8-5-9-14(13)10-11-6-3-2-4-7-11/h2-4,6-7,12-13,15H,5,8-10H2,1H3.
What are the key properties of 1-benzyl-2-methoxypiperidin-3-ol?
1-benzyl-2-methoxypiperidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methoxypiperidin-3-ol is sourced from PubChem (CID 70527191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).