1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine

C13H17ClN4O — CID 150844111

IUPAC1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine
SMILES[N-]=[N+]=Nc1ccc(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN4O/c14-12-10-11(16-17-15)4-5-13(12)19-9-8-18-6-2-1-3-7-18/h4-5,10H,1-3,6-9H2
InChIKeyKOPVERXQUDSVMZ-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.15
Rot. Bonds5

About 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine

1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine (PubChem CID 150844111) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine
PubChem CID150844111
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine
SMILES[N-]=[N+]=Nc1ccc(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN4O/c14-12-10-11(16-17-15)4-5-13(12)19-9-8-18-6-2-1-3-7-18/h4-5,10H,1-3,6-9H2
InChIKeyKOPVERXQUDSVMZ-UHFFFAOYSA-N
XLogP4.15
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-azidophenoxy)ethyl]azepane
CID 150834626
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
CID 10852867
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
2-[[3-chloro-4-(2-piperidin-1-ylethoxy)anilino]methylidene]propanedinitrile
CID 168544057
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
[3-chloro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]boronic acid
CID 91759291
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
3-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)anilino]propane-1,2-diol
CID 168596937
1-[3-(4-bromo-2-chlorophenoxy)propyl]piperidine;oxalic acid
CID 2924033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine (CID 150844111) is 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine is [N-]=[N+]=Nc1ccc(OCCN2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine?
The InChIKey is KOPVERXQUDSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c14-12-10-11(16-17-15)4-5-13(12)19-9-8-18-6-2-1-3-7-18/h4-5,10H,1-3,6-9H2.
What are the key properties of 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine?
1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine has a molecular weight of 280.76 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 150844111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).