N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine

C15H22N2O3 — CID 22680522

IUPACN-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1OCCN1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-19-14-6-5-13(12-16-18)11-15(14)20-10-9-17-7-3-2-4-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyVXVVEXHQTAZEJS-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.37
Rot. Bonds6

About N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine

N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 22680522) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
PubChem CID22680522
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1OCCN1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-19-14-6-5-13(12-16-18)11-15(14)20-10-9-17-7-3-2-4-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyVXVVEXHQTAZEJS-UHFFFAOYSA-N
XLogP2.37
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20988948
(E)-3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 42311398
N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20986071
(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride
CID 88520305
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20984224
N-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 1000041
N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5430549
N-[[3-[2-(2,4-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22679937

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine (CID 22680522) is N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine is COc1ccc(C=NO)cc1OCCN1CCCCC1.
What is the InChIKey of N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is VXVVEXHQTAZEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14-6-5-13(12-16-18)11-15(14)20-10-9-17-7-3-2-4-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3.
What are the key properties of N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 278.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22680522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).