3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline

C13H18Cl2N2O — CID 106891018

IUPAC3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
SMILESNc1cc(Cl)c(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c14-11-8-10(16)9-12(15)13(11)18-7-6-17-4-2-1-3-5-17/h8-9H,1-7,16H2
InChIKeyUATVTTTYIAVKBC-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.44
Rot. Bonds4

About 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline

3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline (PubChem CID 106891018) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
PubChem CID106891018
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
SMILESNc1cc(Cl)c(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c14-11-8-10(16)9-12(15)13(11)18-7-6-17-4-2-1-3-5-17/h8-9H,1-7,16H2
InChIKeyUATVTTTYIAVKBC-UHFFFAOYSA-N
XLogP3.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate
CID 107197723
5-chloro-6-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 114046391
3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 18327476
2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 54930466
4-chloro-5-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzene-1,3-diamine
CID 103553739
3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 22687308
3-chloro-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzonitrile
CID 20986085
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
CID 80748537
1-[2-(2,6-dichlorophenoxy)ethyl]-1,4-diazepane
CID 43162548
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline?
The IUPAC name of 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline (CID 106891018) is 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline.
What is the SMILES notation for 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline?
The canonical SMILES for 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline is Nc1cc(Cl)c(OCCN2CCCCC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline?
The InChIKey is UATVTTTYIAVKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c14-11-8-10(16)9-12(15)13(11)18-7-6-17-4-2-1-3-5-17/h8-9H,1-7,16H2.
What are the key properties of 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline?
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline has a molecular weight of 289.21 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline is sourced from PubChem (CID 106891018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).