1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone

C16H23NO3 — CID 115593371

IUPAC1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-12(2)20-11-16(19)17-9-7-14(8-10-17)13-3-5-15(18)6-4-13/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyUXKLZMTYSPQGMD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.52
Rot. Bonds4

About 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone

1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 115593371) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID115593371
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-12(2)20-11-16(19)17-9-7-14(8-10-17)13-3-5-15(18)6-4-13/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyUXKLZMTYSPQGMD-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone (CID 115593371) is 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is UXKLZMTYSPQGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)20-11-16(19)17-9-7-14(8-10-17)13-3-5-15(18)6-4-13/h3-6,12,14,18H,7-11H2,1-2H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 277.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 115593371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).