N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine

C14H22N2O3 — CID 117420155

IUPACN-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
SMILESCOc1c(CNO)cccc1OC1CCN(C)CC1
InChIInChI=1S/C14H22N2O3/c1-16-8-6-12(7-9-16)19-13-5-3-4-11(10-15-17)14(13)18-2/h3-5,12,15,17H,6-10H2,1-2H3
InChIKeyLQTCSTHAKTZTQN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.65
Rot. Bonds5

About N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine

N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine (PubChem CID 117420155) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
PubChem CID117420155
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
SMILESCOc1c(CNO)cccc1OC1CCN(C)CC1
InChIInChI=1S/C14H22N2O3/c1-16-8-6-12(7-9-16)19-13-5-3-4-11(10-15-17)14(13)18-2/h3-5,12,15,17H,6-10H2,1-2H3
InChIKeyLQTCSTHAKTZTQN-UHFFFAOYSA-N
XLogP1.65
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117487266
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111564178
1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine
CID 68619381
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine (CID 117420155) is N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine is COc1c(CNO)cccc1OC1CCN(C)CC1.
What is the InChIKey of N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine?
The InChIKey is LQTCSTHAKTZTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16-8-6-12(7-9-16)19-13-5-3-4-11(10-15-17)14(13)18-2/h3-5,12,15,17H,6-10H2,1-2H3.
What are the key properties of N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine?
N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine has a molecular weight of 266.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117420155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).