2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one

C16H23NO3 — CID 62024780

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCC(CO)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-12(17-9-7-13(11-18)8-10-17)16(19)14-3-5-15(20-2)6-4-14/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyIFSIMQVNZJMPQV-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.97
Rot. Bonds5

About 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one

2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one (PubChem CID 62024780) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
PubChem CID62024780
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCC(CO)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-12(17-9-7-13(11-18)8-10-17)16(19)14-3-5-15(20-2)6-4-14/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyIFSIMQVNZJMPQV-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62029201
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62931770
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 115965576
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810
2-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 63158465
1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 62029422

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one (CID 62024780) is 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N2CCC(CO)CC2)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is IFSIMQVNZJMPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(17-9-7-13(11-18)8-10-17)16(19)14-3-5-15(20-2)6-4-14/h3-6,12-13,18H,7-11H2,1-2H3.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one?
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 62024780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).