N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine

C9H18N2O — CID 43209241

IUPACN-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine
SMILESCCC(C)N1CCC(=NO)CC1
InChIInChI=1S/C9H18N2O/c1-3-8(2)11-6-4-9(10-12)5-7-11/h8,12H,3-7H2,1-2H3
InChIKeySQEXQULFYOQIKN-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.71
Rot. Bonds2

About N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine

N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine (PubChem CID 43209241) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine
PubChem CID43209241
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine
SMILESCCC(C)N1CCC(=NO)CC1
InChIInChI=1S/C9H18N2O/c1-3-8(2)11-6-4-9(10-12)5-7-11/h8,12H,3-7H2,1-2H3
InChIKeySQEXQULFYOQIKN-UHFFFAOYSA-N
XLogP1.71
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylpiperidin-4-ylidene)hydroxylamine
CID 2795268
1-Methylpiperidin-4-one oxime
CID 339053
N-methoxy-1-methylpiperidin-4-imine
CID 18995701
N-(1,1-dimethylpiperidin-1-ium-4-ylidene)hydroxylamine
CID 13994783
1-Isopropylpiperidin-4-one oxime
CID 7172378
4-(Hydroxyimino)-1,2,5-trimethylpiperidine
CID 6509105
2,3-Butanedione dioxime, 1-piperidino-
CID 171384407
1,3,5-Trimethyl-4-piperidinone oxime
CID 13839625
N-[1,5-bis(dimethylamino)pentan-3-ylidene]hydroxylamine;hydrochloride
CID 365280
1,5-Bis(dimethylamino)pentan-3-one oxime
CID 365281
(2E)-1-Piperidin-1-ylacetone oxime
CID 6273573
N-[2-(dimethylamino)cyclohexylidene]hydroxylamine
CID 71350412

Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine (CID 43209241) is N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine is CCC(C)N1CCC(=NO)CC1.
What is the InChIKey of N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is SQEXQULFYOQIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-8(2)11-6-4-9(10-12)5-7-11/h8,12H,3-7H2,1-2H3.
What are the key properties of N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine?
N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 170.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-ylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 43209241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).