O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine

C15H24N2O — CID 59890840

IUPACO-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine
SMILESC[C@H]1CCCCN1[C@@H](C)c1ccc(CON)cc1
InChIInChI=1S/C15H24N2O/c1-12-5-3-4-10-17(12)13(2)15-8-6-14(7-9-15)11-18-16/h6-9,12-13H,3-5,10-11,16H2,1-2H3/t12-,13-/m0/s1
InChIKeyQYEXHQAIKPRSED-STQMWFEESA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds4

About O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine

O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine (PubChem CID 59890840) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine
PubChem CID59890840
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameO-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine
SMILESC[C@H]1CCCCN1[C@@H](C)c1ccc(CON)cc1
InChIInChI=1S/C15H24N2O/c1-12-5-3-4-10-17(12)13(2)15-8-6-14(7-9-15)11-18-16/h6-9,12-13H,3-5,10-11,16H2,1-2H3/t12-,13-/m0/s1
InChIKeyQYEXHQAIKPRSED-STQMWFEESA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine (CID 59890840) is O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine is C[C@H]1CCCCN1[C@@H](C)c1ccc(CON)cc1.
What is the InChIKey of O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine?
The InChIKey is QYEXHQAIKPRSED-STQMWFEESA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-3-4-10-17(12)13(2)15-8-6-14(7-9-15)11-18-16/h6-9,12-13H,3-5,10-11,16H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine?
O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine has a molecular weight of 248.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 59890840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).