(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

C12H23ClN2O — CID 56831896

IUPAC(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCCC1CCCCN1C(=O)C1CCCN1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-10-6-3-4-9-14(10)12(15)11-7-5-8-13-11;/h10-11,13H,2-9H2,1H3;1H
InChIKeyGAPKDUQLFLKSLG-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.95
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 56831896) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID56831896
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCCC1CCCCN1C(=O)C1CCCN1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-10-6-3-4-9-14(10)12(15)11-7-5-8-13-11;/h10-11,13H,2-9H2,1H3;1H
InChIKeyGAPKDUQLFLKSLG-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
(2-propylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 83052563
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129359602
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
CID 103868803
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
[2-(methoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 121201480

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (CID 56831896) is (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is CCC1CCCCN1C(=O)C1CCCN1.Cl.
What is the InChIKey of (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is GAPKDUQLFLKSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-2-10-6-3-4-9-14(10)12(15)11-7-5-8-13-11;/h10-11,13H,2-9H2,1H3;1H.
What are the key properties of (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 56831896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).