1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one

C16H23NO2 — CID 10377983

IUPAC1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)CN2CCCCC2)cc1O
InChIInChI=1S/C16H23NO2/c1-12-6-7-14(10-15(12)18)16(19)13(2)11-17-8-4-3-5-9-17/h6-7,10,13,18H,3-5,8-9,11H2,1-2H3
InChIKeyDPTIOTYHVFZYFS-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one

1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one (PubChem CID 10377983) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
PubChem CID10377983
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)CN2CCCCC2)cc1O
InChIInChI=1S/C16H23NO2/c1-12-6-7-14(10-15(12)18)16(19)13(2)11-17-8-4-3-5-9-17/h6-7,10,13,18H,3-5,8-9,11H2,1-2H3
InChIKeyDPTIOTYHVFZYFS-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one (CID 10377983) is 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one is Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1O.
What is the InChIKey of 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is DPTIOTYHVFZYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-7-14(10-15(12)18)16(19)13(2)11-17-8-4-3-5-9-17/h6-7,10,13,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 10377983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).