1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone

C14H26N2O2 — CID 115276536

IUPAC1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCC(O)C(C)(C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2)10-16(7-5-12(14)17)13(18)8-11-4-6-15(3)9-11/h11-12,17H,4-10H2,1-3H3
InChIKeyHZMBOVNCPIKMJW-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.95
Rot. Bonds2

About 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone

1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone (PubChem CID 115276536) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
PubChem CID115276536
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCC(O)C(C)(C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2)10-16(7-5-12(14)17)13(18)8-11-4-6-15(3)9-11/h11-12,17H,4-10H2,1-3H3
InChIKeyHZMBOVNCPIKMJW-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone (CID 115276536) is 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone is CN1CCC(CC(=O)N2CCC(O)C(C)(C)C2)C1.
What is the InChIKey of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone?
The InChIKey is HZMBOVNCPIKMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2)10-16(7-5-12(14)17)13(18)8-11-4-6-15(3)9-11/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone?
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 115276536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).