[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone

C12H22N2O2 — CID 114797503

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCC(CCO)C1
InChIInChI=1S/C12H22N2O2/c15-7-4-10-3-6-14(9-10)12(16)11-2-1-5-13-8-11/h10-11,13,15H,1-9H2
InChIKeyJYYFPQDMOFWZGP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.22
Rot. Bonds3

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone (PubChem CID 114797503) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
PubChem CID114797503
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCC(CCO)C1
InChIInChI=1S/C12H22N2O2/c15-7-4-10-3-6-14(9-10)12(16)11-2-1-5-13-8-11/h10-11,13,15H,1-9H2
InChIKeyJYYFPQDMOFWZGP-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894675
piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
CID 119337253
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119895885
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114797524
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone (CID 114797503) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is JYYFPQDMOFWZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-7-4-10-3-6-14(9-10)12(16)11-2-1-5-13-8-11/h10-11,13,15H,1-9H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 114797503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).