3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one

C17H25NO2 — CID 81103968

IUPAC3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC1(O)CCN(CC(C)(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-16(2,15(19)14-7-5-4-6-8-14)13-18-11-9-17(3,20)10-12-18/h4-8,20H,9-13H2,1-3H3
InChIKeyPIIUWOCNBHNGQH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.74
Rot. Bonds4

About 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one

3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one (PubChem CID 81103968) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
PubChem CID81103968
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC1(O)CCN(CC(C)(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-16(2,15(19)14-7-5-4-6-8-14)13-18-11-9-17(3,20)10-12-18/h4-8,20H,9-13H2,1-3H3
InChIKeyPIIUWOCNBHNGQH-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
The IUPAC name of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one (CID 81103968) is 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one is CC1(O)CCN(CC(C)(C)C(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
The InChIKey is PIIUWOCNBHNGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,15(19)14-7-5-4-6-8-14)13-18-11-9-17(3,20)10-12-18/h4-8,20H,9-13H2,1-3H3.
What are the key properties of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one is sourced from PubChem (CID 81103968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).