1-benzyl-3-methoxypiperidin-4-ol

C13H19NO2 — CID 54277205

IUPAC1-benzyl-3-methoxypiperidin-4-ol
SMILESCOC1CN(Cc2ccccc2)CCC1O
InChIInChI=1S/C13H19NO2/c1-16-13-10-14(8-7-12(13)15)9-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3
InChIKeyROFTURGJNBIHCF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds3

About 1-benzyl-3-methoxypiperidin-4-ol

1-benzyl-3-methoxypiperidin-4-ol (PubChem CID 54277205) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-benzyl-3-methoxypiperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-methoxypiperidin-4-ol
PubChem CID54277205
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-benzyl-3-methoxypiperidin-4-ol
SMILESCOC1CN(Cc2ccccc2)CCC1O
InChIInChI=1S/C13H19NO2/c1-16-13-10-14(8-7-12(13)15)9-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3
InChIKeyROFTURGJNBIHCF-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
1-benzyl-3-propan-2-ylpiperidin-4-ol
CID 23003711
(3R,4R)-1-benzyl-3-fluoro-4-methoxypyrrolidine
CID 140566210
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxypiperidin-4-ol?
The IUPAC name of 1-benzyl-3-methoxypiperidin-4-ol (CID 54277205) is 1-benzyl-3-methoxypiperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-methoxypiperidin-4-ol?
The canonical SMILES for 1-benzyl-3-methoxypiperidin-4-ol is COC1CN(Cc2ccccc2)CCC1O.
What is the InChIKey of 1-benzyl-3-methoxypiperidin-4-ol?
The InChIKey is ROFTURGJNBIHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13-10-14(8-7-12(13)15)9-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3.
What are the key properties of 1-benzyl-3-methoxypiperidin-4-ol?
1-benzyl-3-methoxypiperidin-4-ol has a molecular weight of 221.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxypiperidin-4-ol is sourced from PubChem (CID 54277205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).