(NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride

C13H19ClN2O — CID 19866581

IUPAC(NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride
SMILESCCC1CCCN(c2ccccc2)/C1=N/O.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-11-7-6-10-15(13(11)14-16)12-8-4-3-5-9-12;/h3-5,8-9,11,16H,2,6-7,10H2,1H3;1H/b14-13+;
InChIKeyCUZSGYCFCLOSIB-IERUDJENSA-N
MW254.76 g/mol
LogP3.52
Rot. Bonds2

About (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride

(NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride (PubChem CID 19866581) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride
PubChem CID19866581
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride
SMILESCCC1CCCN(c2ccccc2)/C1=N/O.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-11-7-6-10-15(13(11)14-16)12-8-4-3-5-9-12;/h3-5,8-9,11,16H,2,6-7,10H2,1H3;1H/b14-13+;
InChIKeyCUZSGYCFCLOSIB-IERUDJENSA-N
XLogP3.52
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
1-benzyl-3-ethylpiperidin-2-one
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CID 135182975
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(2S)-2-ethyl-1-phenylpyrrolidin-3-ol
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CID 158057819
6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 176907812
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
3-amino-1-phenylazepan-2-one
CID 59657864
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride
CID 119792252

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride?
The IUPAC name of (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride (CID 19866581) is (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride.
What is the SMILES notation for (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride?
The canonical SMILES for (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride is CCC1CCCN(c2ccccc2)/C1=N/O.Cl.
What is the InChIKey of (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride?
The InChIKey is CUZSGYCFCLOSIB-IERUDJENSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-2-11-7-6-10-15(13(11)14-16)12-8-4-3-5-9-12;/h3-5,8-9,11,16H,2,6-7,10H2,1H3;1H/b14-13+;.
What are the key properties of (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride?
(NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride is sourced from PubChem (CID 19866581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).