(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone

C11H20N2O2 — CID 103727843

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
SMILESCC1(O)CCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C11H20N2O2/c1-11(15)5-8-13(9-11)10(14)12-6-3-2-4-7-12/h15H,2-9H2,1H3
InChIKeyCYHWOSDHCQYUQC-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.05
Rot. Bonds

About (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone (PubChem CID 103727843) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
PubChem CID103727843
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
SMILESCC1(O)CCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C11H20N2O2/c1-11(15)5-8-13(9-11)10(14)12-6-3-2-4-7-12/h15H,2-9H2,1H3
InChIKeyCYHWOSDHCQYUQC-UHFFFAOYSA-N
XLogP1.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone (CID 103727843) is (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone is CC1(O)CCN(C(=O)N2CCCCC2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is CYHWOSDHCQYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(15)5-8-13(9-11)10(14)12-6-3-2-4-7-12/h15H,2-9H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 212.29 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 103727843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).