(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C15H23N3O — CID 103504947

IUPAC(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H23N3O/c1-10(2)11-5-7-18(8-6-11)15(19)13-4-3-12(16)9-14(13)17/h3-4,9-11H,5-8,16-17H2,1-2H3
InChIKeyUJZBFWRKQGGXEQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds2

About (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103504947) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103504947
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H23N3O/c1-10(2)11-5-7-18(8-6-11)15(19)13-4-3-12(16)9-14(13)17/h3-4,9-11H,5-8,16-17H2,1-2H3
InChIKeyUJZBFWRKQGGXEQ-UHFFFAOYSA-N
XLogP2.36
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
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

(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
(2,4-diaminophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79174847
4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 61108425
(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504928
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
(5-amino-2-methyl-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504927
(4-aminophenyl)-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787850

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103504947) is (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2ccc(N)cc2N)CC1.
What is the InChIKey of (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is UJZBFWRKQGGXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)11-5-7-18(8-6-11)15(19)13-4-3-12(16)9-14(13)17/h3-4,9-11H,5-8,16-17H2,1-2H3.
What are the key properties of (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103504947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).