3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine

C14H23N3 — CID 55004205

IUPAC3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
SMILESCCN1CCC(N(C)c2cccc(N)c2)CC1
InChIInChI=1S/C14H23N3/c1-3-17-9-7-13(8-10-17)16(2)14-6-4-5-12(15)11-14/h4-6,11,13H,3,7-10,15H2,1-2H3
InChIKeyXOTNSSOEMLKUOD-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.19
Rot. Bonds3

About 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine

3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine (PubChem CID 55004205) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
PubChem CID55004205
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
SMILESCCN1CCC(N(C)c2cccc(N)c2)CC1
InChIInChI=1S/C14H23N3/c1-3-17-9-7-13(8-10-17)16(2)14-6-4-5-12(15)11-14/h4-6,11,13H,3,7-10,15H2,1-2H3
InChIKeyXOTNSSOEMLKUOD-UHFFFAOYSA-N
XLogP2.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.19
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 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine (CID 55004205) is 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine is CCN1CCC(N(C)c2cccc(N)c2)CC1.
What is the InChIKey of 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine?
The InChIKey is XOTNSSOEMLKUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-17-9-7-13(8-10-17)16(2)14-6-4-5-12(15)11-14/h4-6,11,13H,3,7-10,15H2,1-2H3.
What are the key properties of 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine?
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 55004205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).