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

C14H21ClN2O2 — CID 88520305

IUPAC(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride
SMILESCl.O/N=C\c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2.ClH/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;1H/b15-12-;
InChIKeyVVSPRSMMYBXQIB-OBBOLZQKSA-N
MW284.79 g/mol
LogP2.78
Rot. Bonds5

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

(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride (PubChem CID 88520305) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride
PubChem CID88520305
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride
SMILESCl.O/N=C\c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2.ClH/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;1H/b15-12-;
InChIKeyVVSPRSMMYBXQIB-OBBOLZQKSA-N
XLogP2.78
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.78
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

N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20986071
N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 22680522
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
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-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63677681
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride?
The IUPAC name of (NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride (CID 88520305) is (NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for (NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride?
The canonical SMILES for (NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride is Cl.O/N=C\c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of (NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride?
The InChIKey is VVSPRSMMYBXQIB-OBBOLZQKSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/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;1H/b15-12-;.
What are the key properties of (NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride?
(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 88520305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).