O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine

C15H25N3O — CID 117413751

IUPACO-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine
SMILESCC(C)N1CCN(c2cccc(CCON)c2)CC1
InChIInChI=1S/C15H25N3O/c1-13(2)17-7-9-18(10-8-17)15-5-3-4-14(12-15)6-11-19-16/h3-5,12-13H,6-11,16H2,1-2H3
InChIKeySBJPRZAIOAZUKN-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.65
Rot. Bonds5

About O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine

O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine (PubChem CID 117413751) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine
PubChem CID117413751
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC NameO-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine
SMILESCC(C)N1CCN(c2cccc(CCON)c2)CC1
InChIInChI=1S/C15H25N3O/c1-13(2)17-7-9-18(10-8-17)15-5-3-4-14(12-15)6-11-19-16/h3-5,12-13H,6-11,16H2,1-2H3
InChIKeySBJPRZAIOAZUKN-UHFFFAOYSA-N
XLogP1.65
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]butanoic acid
CID 117469350
1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine
CID 170687978
O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine
CID 117293696
3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 65349890
1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one
CID 117315868
(2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide
CID 120873876
4-(4-propan-2-ylpiperazin-1-yl)-2-propoxyaniline
CID 63669983
1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846572
4-amino-4-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]butanoic acid
CID 117490854
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
1-[4-[2-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]ethoxymethyl]phenyl]-5-pyridin-3-ylpentan-3-one
CID 158415746
3-(2-aminooxyethyl)phenol
CID 83479668

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine (CID 117413751) is O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine is CC(C)N1CCN(c2cccc(CCON)c2)CC1.
What is the InChIKey of O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine?
The InChIKey is SBJPRZAIOAZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)17-7-9-18(10-8-17)15-5-3-4-14(12-15)6-11-19-16/h3-5,12-13H,6-11,16H2,1-2H3.
What are the key properties of O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine?
O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine has a molecular weight of 263.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117413751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).