1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one

C15H28N2O2 — CID 114797524

IUPAC1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(CCO)C1)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-15(2,13-4-3-7-16-10-13)14(19)17-8-5-12(11-17)6-9-18/h12-13,16,18H,3-11H2,1-2H3
InChIKeyIMILVBGMRVLMMS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.24
Rot. Bonds4

About 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one

1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 114797524) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID114797524
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(CCO)C1)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-15(2,13-4-3-7-16-10-13)14(19)17-8-5-12(11-17)6-9-18/h12-13,16,18H,3-11H2,1-2H3
InChIKeyIMILVBGMRVLMMS-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086
3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid
CID 83199346
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83198699
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
CID 113345683
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479
2-[4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholin-2-yl]acetic acid
CID 83200057
1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107219375
1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 103884985
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one
CID 70094133
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one (CID 114797524) is 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one is CC(C)(C(=O)N1CCC(CCO)C1)C1CCCNC1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is IMILVBGMRVLMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,13-4-3-7-16-10-13)14(19)17-8-5-12(11-17)6-9-18/h12-13,16,18H,3-11H2,1-2H3.
What are the key properties of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 114797524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).