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

C15H23N3O — CID 83052111

IUPAC(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(N)cc1N
InChIInChI=1S/C15H23N3O/c1-2-5-12-6-3-4-9-18(12)15(19)13-8-7-11(16)10-14(13)17/h7-8,10,12H,2-6,9,16-17H2,1H3
InChIKeyGQAXLXNWFNXFAT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds3

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

(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 83052111) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID83052111
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(N)cc1N
InChIInChI=1S/C15H23N3O/c1-2-5-12-6-3-4-9-18(12)15(19)13-8-7-11(16)10-14(13)17/h7-8,10,12H,2-6,9,16-17H2,1H3
InChIKeyGQAXLXNWFNXFAT-UHFFFAOYSA-N
XLogP2.65
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.65
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-ethylpiperidin-1-yl)methanone
CID 61095162
(5-amino-2-methyl-3-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83053618
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052263
(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83061992
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053615
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 120622886
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107033947
(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053205

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone (CID 83052111) is (2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1ccc(N)cc1N.
What is the InChIKey of (2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is GQAXLXNWFNXFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-5-12-6-3-4-9-18(12)15(19)13-8-7-11(16)10-14(13)17/h7-8,10,12H,2-6,9,16-17H2,1H3.
What are the key properties of (2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone?
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83052111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).