4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine

C13H21N3O — CID 106750486

IUPAC4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
SMILESCCOC1CCN(c2ccc(N)c(N)c2)CC1
InChIInChI=1S/C13H21N3O/c1-2-17-11-5-7-16(8-6-11)10-3-4-12(14)13(15)9-10/h3-4,9,11H,2,5-8,14-15H2,1H3
InChIKeyNDGZARJLNXRANJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds3

About 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine

4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine (PubChem CID 106750486) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
PubChem CID106750486
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
SMILESCCOC1CCN(c2ccc(N)c(N)c2)CC1
InChIInChI=1S/C13H21N3O/c1-2-17-11-5-7-16(8-6-11)10-3-4-12(14)13(15)9-10/h3-4,9,11H,2,5-8,14-15H2,1H3
InChIKeyNDGZARJLNXRANJ-UHFFFAOYSA-N
XLogP1.86
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
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

5-(4-ethoxypiperidin-1-yl)-2-methylaniline
CID 62911119
2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid
CID 113419739
3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline
CID 80731611
2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline
CID 114281233
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
CID 106750697
2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline
CID 61220325
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
3-chloro-2-(4-ethoxypiperidin-1-yl)aniline
CID 61220696
2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol
CID 83005347
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058487
1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine (CID 106750486) is 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine is CCOC1CCN(c2ccc(N)c(N)c2)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine?
The InChIKey is NDGZARJLNXRANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-17-11-5-7-16(8-6-11)10-3-4-12(14)13(15)9-10/h3-4,9,11H,2,5-8,14-15H2,1H3.
What are the key properties of 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine?
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 106750486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).