1-benzyl-4,4-dimethoxypiperidin-3-ol

C14H21NO3 — CID 3019274

IUPAC1-benzyl-4,4-dimethoxypiperidin-3-ol
SMILESCOC1(OC)CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C14H21NO3/c1-17-14(18-2)8-9-15(11-13(14)16)10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKeyANEFKQJYRFOSON-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds4

About 1-benzyl-4,4-dimethoxypiperidin-3-ol

1-benzyl-4,4-dimethoxypiperidin-3-ol (PubChem CID 3019274) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-benzyl-4,4-dimethoxypiperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4,4-dimethoxypiperidin-3-ol
PubChem CID3019274
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-benzyl-4,4-dimethoxypiperidin-3-ol
SMILESCOC1(OC)CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C14H21NO3/c1-17-14(18-2)8-9-15(11-13(14)16)10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKeyANEFKQJYRFOSON-UHFFFAOYSA-N
XLogP1.24
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,4-dimethoxypiperidin-3-ol?
The IUPAC name of 1-benzyl-4,4-dimethoxypiperidin-3-ol (CID 3019274) is 1-benzyl-4,4-dimethoxypiperidin-3-ol.
What is the SMILES notation for 1-benzyl-4,4-dimethoxypiperidin-3-ol?
The canonical SMILES for 1-benzyl-4,4-dimethoxypiperidin-3-ol is COC1(OC)CCN(Cc2ccccc2)CC1O.
What is the InChIKey of 1-benzyl-4,4-dimethoxypiperidin-3-ol?
The InChIKey is ANEFKQJYRFOSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-14(18-2)8-9-15(11-13(14)16)10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3.
What are the key properties of 1-benzyl-4,4-dimethoxypiperidin-3-ol?
1-benzyl-4,4-dimethoxypiperidin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,4-dimethoxypiperidin-3-ol is sourced from PubChem (CID 3019274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).