(NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine

C14H21N3O — CID 102881422

IUPAC(NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(Cc2cncc(C)c2)CC/C1=N\O
InChIInChI=1S/C14H21N3O/c1-3-13-10-17(5-4-14(13)16-18)9-12-6-11(2)7-15-8-12/h6-8,13,18H,3-5,9-10H2,1-2H3/b16-14+
InChIKeyWEALMELYDFSTDK-JQIJEIRASA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds3

About (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine

(NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 102881422) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine
PubChem CID102881422
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(Cc2cncc(C)c2)CC/C1=N\O
InChIInChI=1S/C14H21N3O/c1-3-13-10-17(5-4-14(13)16-18)9-12-6-11(2)7-15-8-12/h6-8,13,18H,3-5,9-10H2,1-2H3/b16-14+
InChIKeyWEALMELYDFSTDK-JQIJEIRASA-N
XLogP2.45
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
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

(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114501005
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862
(NE)-N-[3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 102876942
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825
N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine
CID 104931540
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
CID 102877523
2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 114509607
(NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
CID 114509483
3-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102879078
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 102877444
ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 143962339
N-[1-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 114200257

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine (CID 102881422) is (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine is CCC1CN(Cc2cncc(C)c2)CC/C1=N\O.
What is the InChIKey of (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is WEALMELYDFSTDK-JQIJEIRASA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-13-10-17(5-4-14(13)16-18)9-12-6-11(2)7-15-8-12/h6-8,13,18H,3-5,9-10H2,1-2H3/b16-14+.
What are the key properties of (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine?
(NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 247.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 102881422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).