(NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine

C17H21N3O — CID 114509516

IUPAC(NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(Cc2cccc3cccnc23)CC/C1=N\O
InChIInChI=1S/C17H21N3O/c1-2-13-11-20(10-8-16(13)19-21)12-15-6-3-5-14-7-4-9-18-17(14)15/h3-7,9,13,21H,2,8,10-12H2,1H3/b19-16+
InChIKeyWEKKNHMLUPQTJF-KNTRCKAVSA-N
MW283.38 g/mol
LogP3.30
Rot. Bonds3

About (NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine

(NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 114509516) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID114509516
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(Cc2cccc3cccnc23)CC/C1=N\O
InChIInChI=1S/C17H21N3O/c1-2-13-11-20(10-8-16(13)19-21)12-15-6-3-5-14-7-4-9-18-17(14)15/h3-7,9,13,21H,2,8,10-12H2,1H3/b19-16+
InChIKeyWEKKNHMLUPQTJF-KNTRCKAVSA-N
XLogP3.30
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.30
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'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
CID 77038510
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
N-propyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-amine
CID 81427742
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
(NE)-N-[3-ethyl-1-[(3-nitrophenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114509534
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
N-methyl-1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanamine
CID 63854973
4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol
CID 18131485

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine (CID 114509516) is (NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine is CCC1CN(Cc2cccc3cccnc23)CC/C1=N\O.
What is the InChIKey of (NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is WEKKNHMLUPQTJF-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-13-11-20(10-8-16(13)19-21)12-15-6-3-5-14-7-4-9-18-17(14)15/h3-7,9,13,21H,2,8,10-12H2,1H3/b19-16+.
What are the key properties of (NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine?
(NE)-N-[3-ethyl-1-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 283.38 g/mol, XLogP of 3.30, 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-(quinolin-8-ylmethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 114509516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).