1-methyl-4-phenoxypiperidin-4-ol

C12H17NO2 — CID 10584455

IUPAC1-methyl-4-phenoxypiperidin-4-ol
SMILESCN1CCC(O)(Oc2ccccc2)CC1
InChIInChI=1S/C12H17NO2/c1-13-9-7-12(14,8-10-13)15-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyTUNDIFXPMUUQDU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.48
Rot. Bonds2

About 1-methyl-4-phenoxypiperidin-4-ol

1-methyl-4-phenoxypiperidin-4-ol (PubChem CID 10584455) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-methyl-4-phenoxypiperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-phenoxypiperidin-4-ol
PubChem CID10584455
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-methyl-4-phenoxypiperidin-4-ol
SMILESCN1CCC(O)(Oc2ccccc2)CC1
InChIInChI=1S/C12H17NO2/c1-13-9-7-12(14,8-10-13)15-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyTUNDIFXPMUUQDU-UHFFFAOYSA-N
XLogP1.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-4-phenoxypiperidin-4-ol?
The IUPAC name of 1-methyl-4-phenoxypiperidin-4-ol (CID 10584455) is 1-methyl-4-phenoxypiperidin-4-ol.
What is the SMILES notation for 1-methyl-4-phenoxypiperidin-4-ol?
The canonical SMILES for 1-methyl-4-phenoxypiperidin-4-ol is CN1CCC(O)(Oc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-phenoxypiperidin-4-ol?
The InChIKey is TUNDIFXPMUUQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-9-7-12(14,8-10-13)15-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3.
What are the key properties of 1-methyl-4-phenoxypiperidin-4-ol?
1-methyl-4-phenoxypiperidin-4-ol has a molecular weight of 207.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenoxypiperidin-4-ol is sourced from PubChem (CID 10584455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).