5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine

C16H27N3O — CID 80740126

IUPAC5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCC(C)N2CCCCC2)c1
InChIInChI=1S/C16H27N3O/c1-3-20-16-10-14(17)9-15(11-16)18-12-13(2)19-7-5-4-6-8-19/h9-11,13,18H,3-8,12,17H2,1-2H3
InChIKeyUTNNAZVNKOVVNI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.95
Rot. Bonds6

About 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine

5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine (PubChem CID 80740126) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine
PubChem CID80740126
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCC(C)N2CCCCC2)c1
InChIInChI=1S/C16H27N3O/c1-3-20-16-10-14(17)9-15(11-16)18-12-13(2)19-7-5-4-6-8-19/h9-11,13,18H,3-8,12,17H2,1-2H3
InChIKeyUTNNAZVNKOVVNI-UHFFFAOYSA-N
XLogP2.95
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-piperidin-1-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739984
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
5-ethoxy-3-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,3-diamine
CID 80739390
4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine
CID 113367725
2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine
CID 63736165
3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
5-ethoxy-3-N-[(4-ethylcyclohexyl)methyl]benzene-1,3-diamine
CID 80738399
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine
CID 106324907
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
3-ethoxy-5-pyrrolidin-1-ylaniline
CID 80725867

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine (CID 80740126) is 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine is CCOc1cc(N)cc(NCC(C)N2CCCCC2)c1.
What is the InChIKey of 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine?
The InChIKey is UTNNAZVNKOVVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-20-16-10-14(17)9-15(11-16)18-12-13(2)19-7-5-4-6-8-19/h9-11,13,18H,3-8,12,17H2,1-2H3.
What are the key properties of 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine?
5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine has a molecular weight of 277.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 80740126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).