(NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine

C19H23N3O2 — CID 56679502

IUPAC(NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine
SMILESCc1ccc(Oc2ccc(/C(=N/O)N3CCCCC3)cn2)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-14-6-8-17(15(2)12-14)24-18-9-7-16(13-20-18)19(21-23)22-10-4-3-5-11-22/h6-9,12-13,23H,3-5,10-11H2,1-2H3/b21-19-
InChIKeyIALWQFWVTGUSJB-VZCXRCSSSA-N
MW325.41 g/mol
LogP4.11
Rot. Bonds3

About (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine

(NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine (PubChem CID 56679502) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine
PubChem CID56679502
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine
SMILESCc1ccc(Oc2ccc(/C(=N/O)N3CCCCC3)cn2)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-14-6-8-17(15(2)12-14)24-18-9-7-16(13-20-18)19(21-23)22-10-4-3-5-11-22/h6-9,12-13,23H,3-5,10-11H2,1-2H3/b21-19-
InChIKeyIALWQFWVTGUSJB-VZCXRCSSSA-N
XLogP4.11
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

(NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine
CID 56665923
N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide
CID 56679317
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
1-(azocan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 55575535
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide
CID 28933737
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
[6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 166191130
2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013736
[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250025

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine (CID 56679502) is (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine is Cc1ccc(Oc2ccc(/C(=N/O)N3CCCCC3)cn2)c(C)c1.
What is the InChIKey of (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine?
The InChIKey is IALWQFWVTGUSJB-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-6-8-17(15(2)12-14)24-18-9-7-16(13-20-18)19(21-23)22-10-4-3-5-11-22/h6-9,12-13,23H,3-5,10-11H2,1-2H3/b21-19-.
What are the key properties of (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine?
(NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine has a molecular weight of 325.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine is sourced from PubChem (CID 56679502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).