1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine

C19H25N3 — CID 28809955

IUPAC1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine
SMILESCCN(c1ccccc1)c1ccc(N2CCCCC2)cc1N
InChIInChI=1S/C19H25N3/c1-2-22(16-9-5-3-6-10-16)19-12-11-17(15-18(19)20)21-13-7-4-8-14-21/h3,5-6,9-12,15H,2,4,7-8,13-14,20H2,1H3
InChIKeyKITVEIJTAFWYBY-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.42
Rot. Bonds4

About 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine

1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine (PubChem CID 28809955) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine
PubChem CID28809955
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine
SMILESCCN(c1ccccc1)c1ccc(N2CCCCC2)cc1N
InChIInChI=1S/C19H25N3/c1-2-22(16-9-5-3-6-10-16)19-12-11-17(15-18(19)20)21-13-7-4-8-14-21/h3,5-6,9-12,15H,2,4,7-8,13-14,20H2,1H3
InChIKeyKITVEIJTAFWYBY-UHFFFAOYSA-N
XLogP4.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine (CID 28809955) is 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine is CCN(c1ccccc1)c1ccc(N2CCCCC2)cc1N.
What is the InChIKey of 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine?
The InChIKey is KITVEIJTAFWYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-22(16-9-5-3-6-10-16)19-12-11-17(15-18(19)20)21-13-7-4-8-14-21/h3,5-6,9-12,15H,2,4,7-8,13-14,20H2,1H3.
What are the key properties of 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine?
1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine has a molecular weight of 295.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine is sourced from PubChem (CID 28809955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).