(NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine

C14H20N2O3 — CID 22308113

IUPAC(NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc(N2CC/C(=N/O)C(C)C2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-10-9-16(7-6-12(10)15-17)11-4-5-13(18-2)14(8-11)19-3/h4-5,8,10,17H,6-7,9H2,1-3H3/b15-12-
InChIKeyWJNAVRAOMHSUIJ-QINSGFPZSA-N
MW264.32 g/mol
LogP2.38
Rot. Bonds3

About (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine

(NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 22308113) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
PubChem CID22308113
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc(N2CC/C(=N/O)C(C)C2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-10-9-16(7-6-12(10)15-17)11-4-5-13(18-2)14(8-11)19-3/h4-5,8,10,17H,6-7,9H2,1-3H3/b15-12-
InChIKeyWJNAVRAOMHSUIJ-QINSGFPZSA-N
XLogP2.38
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 114500880
1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one
CID 114839933
4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 150618822
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
1-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003208
4-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]butan-2-one
CID 83981248
3-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981210
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine (CID 22308113) is (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine is COc1ccc(N2CC/C(=N/O)C(C)C2)cc1OC.
What is the InChIKey of (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is WJNAVRAOMHSUIJ-QINSGFPZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-9-16(7-6-12(10)15-17)11-4-5-13(18-2)14(8-11)19-3/h4-5,8,10,17H,6-7,9H2,1-3H3/b15-12-.
What are the key properties of (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine?
(NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 264.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 22308113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).