(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone

C14H21N3O — CID 61095162

IUPAC(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H21N3O/c1-2-11-5-3-4-8-17(11)14(18)12-7-6-10(15)9-13(12)16/h6-7,9,11H,2-5,8,15-16H2,1H3
InChIKeyFNRABIAXGPQBTE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds2

About (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone

(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 61095162) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID61095162
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H21N3O/c1-2-11-5-3-4-8-17(11)14(18)12-7-6-10(15)9-13(12)16/h6-7,9,11H,2-5,8,15-16H2,1H3
InChIKeyFNRABIAXGPQBTE-UHFFFAOYSA-N
XLogP2.26
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688589
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone
CID 104691843
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
(4-amino-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94007740
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(2-ethylpiperidin-1-yl)methanone
CID 60821735

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone (CID 61095162) is (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(N)cc1N.
What is the InChIKey of (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is FNRABIAXGPQBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-11-5-3-4-8-17(11)14(18)12-7-6-10(15)9-13(12)16/h6-7,9,11H,2-5,8,15-16H2,1H3.
What are the key properties of (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone?
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 61095162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).