2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride

C14H28ClN3O — CID 119917745

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCC1CCCCN1C(=O)CN1CCC(CN)C1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-2-13-5-3-4-7-17(13)14(18)11-16-8-6-12(9-15)10-16;/h12-13H,2-11,15H2,1H3;1H
InChIKeyJOFNMHZQLFJAGZ-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.48
Rot. Bonds4

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride

2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119917745) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119917745
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCC1CCCCN1C(=O)CN1CCC(CN)C1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-2-13-5-3-4-7-17(13)14(18)11-16-8-6-12(9-15)10-16;/h12-13H,2-11,15H2,1H3;1H
InChIKeyJOFNMHZQLFJAGZ-UHFFFAOYSA-N
XLogP1.48
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119933610
1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114681192
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 55028926
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747
2-(3,5-dimethylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 63872741
1-(2-ethylpiperidin-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103657075
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 119926286
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 120773946
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109003227
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride (CID 119917745) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride is CCC1CCCCN1C(=O)CN1CCC(CN)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is JOFNMHZQLFJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c1-2-13-5-3-4-7-17(13)14(18)11-16-8-6-12(9-15)10-16;/h12-13H,2-11,15H2,1H3;1H.
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119917745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).