2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione

C17H23N3O2 — CID 119926222

IUPAC2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC1CCCN(CCN2C(=O)c3ccccc3C2=O)C1CN
InChIInChI=1S/C17H23N3O2/c1-12-5-4-8-19(15(12)11-18)9-10-20-16(21)13-6-2-3-7-14(13)17(20)22/h2-3,6-7,12,15H,4-5,8-11,18H2,1H3
InChIKeySEAKCROHNYRFAL-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.34
Rot. Bonds4

About 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 119926222) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID119926222
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC1CCCN(CCN2C(=O)c3ccccc3C2=O)C1CN
InChIInChI=1S/C17H23N3O2/c1-12-5-4-8-19(15(12)11-18)9-10-20-16(21)13-6-2-3-7-14(13)17(20)22/h2-3,6-7,12,15H,4-5,8-11,18H2,1H3
InChIKeySEAKCROHNYRFAL-UHFFFAOYSA-N
XLogP1.34
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 119926221
2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]isoindole-1,3-dione
CID 11930918
2-[4-[2-(aminomethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 164916956
2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 95568169
2-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 47035108
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800277
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
CID 124613957
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 131219720
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 82224049
2-[2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 95621723
2-[3-(9-borabicyclo[3.3.1]nonan-9-yl)propyl]isoindole-1,3-dione
CID 155588874

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione (CID 119926222) is 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione is CC1CCCN(CCN2C(=O)c3ccccc3C2=O)C1CN.
What is the InChIKey of 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is SEAKCROHNYRFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-5-4-8-19(15(12)11-18)9-10-20-16(21)13-6-2-3-7-14(13)17(20)22/h2-3,6-7,12,15H,4-5,8-11,18H2,1H3.
What are the key properties of 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 301.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 119926222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).