(2-hexoxy-4-piperidin-1-ylphenyl)diazene

C17H27N3O — CID 20762664

IUPAC(2-hexoxy-4-piperidin-1-ylphenyl)diazene
SMILES[H]/N=N/c1ccc(N2CCCCC2)cc1OCCCCCC
InChIInChI=1S/C17H27N3O/c1-2-3-4-8-13-21-17-14-15(9-10-16(17)19-18)20-11-6-5-7-12-20/h9-10,14,18H,2-8,11-13H2,1H3/b19-18+
InChIKeyAUPKNRDNBZKTMR-VHEBQXMUSA-N
MW289.42 g/mol
LogP5.30
Rot. Bonds8

About (2-hexoxy-4-piperidin-1-ylphenyl)diazene

(2-hexoxy-4-piperidin-1-ylphenyl)diazene (PubChem CID 20762664) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2-hexoxy-4-piperidin-1-ylphenyl)diazene.

Molecular Properties

Compound Name(2-hexoxy-4-piperidin-1-ylphenyl)diazene
PubChem CID20762664
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2-hexoxy-4-piperidin-1-ylphenyl)diazene
SMILES[H]/N=N/c1ccc(N2CCCCC2)cc1OCCCCCC
InChIInChI=1S/C17H27N3O/c1-2-3-4-8-13-21-17-14-15(9-10-16(17)19-18)20-11-6-5-7-12-20/h9-10,14,18H,2-8,11-13H2,1H3/b19-18+
InChIKeyAUPKNRDNBZKTMR-VHEBQXMUSA-N
XLogP5.30
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium
CID 20762669
(5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene
CID 21063535
1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
4-(3,4-dioctoxyphenyl)-1,4-thiazinane 1,1-dioxide
CID 23393076
4-(3-butoxy-4-diazenylphenyl)butan-1-ol
CID 66821853
1-(4-hexoxy-3-methylphenyl)piperazine
CID 63214255
methyl 2-butoxy-5-piperidin-1-ylbenzoate
CID 70668646
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
[5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene
CID 20729312
1-(2-butoxyphenyl)pyrrolidine
CID 154391189
1-(3-butoxy-4-tert-butylphenyl)piperazine
CID 89492946
hexyl 4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoate
CID 157055186

Frequently Asked Questions

What is the IUPAC name of (2-hexoxy-4-piperidin-1-ylphenyl)diazene?
The IUPAC name of (2-hexoxy-4-piperidin-1-ylphenyl)diazene (CID 20762664) is (2-hexoxy-4-piperidin-1-ylphenyl)diazene.
What is the SMILES notation for (2-hexoxy-4-piperidin-1-ylphenyl)diazene?
The canonical SMILES for (2-hexoxy-4-piperidin-1-ylphenyl)diazene is [H]/N=N/c1ccc(N2CCCCC2)cc1OCCCCCC.
What is the InChIKey of (2-hexoxy-4-piperidin-1-ylphenyl)diazene?
The InChIKey is AUPKNRDNBZKTMR-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-3-4-8-13-21-17-14-15(9-10-16(17)19-18)20-11-6-5-7-12-20/h9-10,14,18H,2-8,11-13H2,1H3/b19-18+.
What are the key properties of (2-hexoxy-4-piperidin-1-ylphenyl)diazene?
(2-hexoxy-4-piperidin-1-ylphenyl)diazene has a molecular weight of 289.42 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexoxy-4-piperidin-1-ylphenyl)diazene is sourced from PubChem (CID 20762664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).