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

C14H20N2O2 — CID 20986071

IUPACN-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2/c17-15-12-13-4-6-14(7-5-13)18-11-10-16-8-2-1-3-9-16/h4-7,12,17H,1-3,8-11H2
InChIKeyWRUJLMRKTUNFPL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.36
Rot. Bonds5

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

N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 20986071) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
PubChem CID20986071
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2/c17-15-12-13-4-6-14(7-5-13)18-11-10-16-8-2-1-3-9-16/h4-7,12,17H,1-3,8-11H2
InChIKeyWRUJLMRKTUNFPL-UHFFFAOYSA-N
XLogP2.36
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride
CID 88520305
N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 22680522
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20988948
2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592438
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine (CID 20986071) is N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine is ON=Cc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is WRUJLMRKTUNFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-15-12-13-4-6-14(7-5-13)18-11-10-16-8-2-1-3-9-16/h4-7,12,17H,1-3,8-11H2.
What are the key properties of N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 248.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20986071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).