N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine

C9H17N3O2 — CID 171384407

IUPACN-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(CN1CCCCC1)=NO
InChIInChI=1S/C9H17N3O2/c1-8(10-13)9(11-14)7-12-5-3-2-4-6-12/h13-14H,2-7H2,1H3
InChIKeyOPOSFRKLXNZYSL-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.15
Rot. Bonds3

About N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine

N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine (PubChem CID 171384407) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine
PubChem CID171384407
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(CN1CCCCC1)=NO
InChIInChI=1S/C9H17N3O2/c1-8(10-13)9(11-14)7-12-5-3-2-4-6-12/h13-14H,2-7H2,1H3
InChIKeyOPOSFRKLXNZYSL-UHFFFAOYSA-N
XLogP1.15
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

1-Methylpiperidin-4-one oxime
CID 339053
N-(1-ethylpiperidin-4-ylidene)hydroxylamine
CID 2795268
1-Ethyl-azacycloundecane-6,7-dione oxime
CID 135429833
N-methoxy-1-methylpiperidin-4-imine
CID 18995701
N-(1,1-dimethylpiperidin-1-ium-4-ylidene)hydroxylamine
CID 13994783
(NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine
CID 135488975
1-Isopropylpiperidin-4-one oxime
CID 7172378
2,3-Butanedione dioxime, 1-diethylamino-
CID 171384657
1,3,5-Trimethyl-4-piperidinone oxime
CID 13839625
1-Hydroxy-4-piperidone oxime
CID 129871212
N-[1,5-bis(dimethylamino)pentan-3-ylidene]hydroxylamine;hydrochloride
CID 365280
1,5-Bis(dimethylamino)pentan-3-one oxime
CID 365281

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine (CID 171384407) is N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine is CC(=NO)C(CN1CCCCC1)=NO.
What is the InChIKey of N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine?
The InChIKey is OPOSFRKLXNZYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(10-13)9(11-14)7-12-5-3-2-4-6-12/h13-14H,2-7H2,1H3.
What are the key properties of N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine?
N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine has a molecular weight of 199.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyimino-1-piperidin-1-ylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 171384407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).