1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one

C16H23NO3 — CID 1446471

IUPAC1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(C2(O)CCN(C(=O)C(C)C)CC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)15(18)17-9-7-16(19,8-10-17)13-5-4-6-14(11-13)20-3/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyGTHRGRIGICICHO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.16
Rot. Bonds3

About 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 1446471) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID1446471
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(C2(O)CCN(C(=O)C(C)C)CC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)15(18)17-9-7-16(19,8-10-17)13-5-4-6-14(11-13)20-3/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyGTHRGRIGICICHO-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one (CID 1446471) is 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one is COc1cccc(C2(O)CCN(C(=O)C(C)C)CC2)c1.
What is the InChIKey of 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is GTHRGRIGICICHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)15(18)17-9-7-16(19,8-10-17)13-5-4-6-14(11-13)20-3/h4-6,11-12,19H,7-10H2,1-3H3.
What are the key properties of 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 1446471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).