O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine

C14H22N2O3 — CID 117420170

IUPACO-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(CON)ccc1OC1CCN(C)CC1
InChIInChI=1S/C14H22N2O3/c1-16-7-5-12(6-8-16)19-13-4-3-11(10-18-15)9-14(13)17-2/h3-4,9,12H,5-8,10,15H2,1-2H3
InChIKeyVXFQNGZQDPDJSQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds5

About O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine

O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine (PubChem CID 117420170) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
PubChem CID117420170
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameO-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(CON)ccc1OC1CCN(C)CC1
InChIInChI=1S/C14H22N2O3/c1-16-7-5-12(6-8-16)19-13-4-3-11(10-18-15)9-14(13)17-2/h3-4,9,12H,5-8,10,15H2,1-2H3
InChIKeyVXFQNGZQDPDJSQ-UHFFFAOYSA-N
XLogP1.56
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117391644
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
CID 117492355
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol
CID 115005708
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine
CID 117415768
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426919
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanoic acid
CID 117473451
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876

Frequently Asked Questions

What is the IUPAC name of O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine (CID 117420170) is O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine is COc1cc(CON)ccc1OC1CCN(C)CC1.
What is the InChIKey of O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine?
The InChIKey is VXFQNGZQDPDJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16-7-5-12(6-8-16)19-13-4-3-11(10-18-15)9-14(13)17-2/h3-4,9,12H,5-8,10,15H2,1-2H3.
What are the key properties of O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine?
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine has a molecular weight of 266.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117420170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).