(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine

C14H16N2O3 — CID 6543489

IUPAC(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESC[C@H]1/C(=N/O)C[C@H](c2ccco2)N[C@@H]1c1ccco1
InChIInChI=1S/C14H16N2O3/c1-9-10(16-17)8-11(12-4-2-6-18-12)15-14(9)13-5-3-7-19-13/h2-7,9,11,14-15,17H,8H2,1H3/b16-10+/t9-,11+,14-/m0/s1
InChIKeyQDWKJWZJSSEORS-LQUFABEVSA-N
MW260.29 g/mol
LogP3.11
Rot. Bonds2

About (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine

(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 6543489) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine
PubChem CID6543489
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESC[C@H]1/C(=N/O)C[C@H](c2ccco2)N[C@@H]1c1ccco1
InChIInChI=1S/C14H16N2O3/c1-9-10(16-17)8-11(12-4-2-6-18-12)15-14(9)13-5-3-7-19-13/h2-7,9,11,14-15,17H,8H2,1H3/b16-10+/t9-,11+,14-/m0/s1
InChIKeyQDWKJWZJSSEORS-LQUFABEVSA-N
XLogP3.11
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2R,3R,6S)-2,6-bis(furan-2-yl)-3-methylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7340420
(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one
CID 1239416
(2R,3R,4R,6S)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
CID 7177283
(2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
CID 40627379
(NE)-N-[(2R,3R,6S)-2,6-bis(2,5-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 7243042
3-(furan-2-yl)-5-methyl-1,4-thiazinane 1-oxide
CID 66218181
3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
CID 66231336
5-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 19968166
[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone
CID 101449094
(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol
CID 7560607
3-(furan-2-yl)-2,5-dimethyl-1,4-thiazepane 1,1-dioxide
CID 66234442
3-(furan-2-yl)-1,2-oxazolidine
CID 174175467

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine (CID 6543489) is (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine is C[C@H]1/C(=N/O)C[C@H](c2ccco2)N[C@@H]1c1ccco1.
What is the InChIKey of (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is QDWKJWZJSSEORS-LQUFABEVSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-10(16-17)8-11(12-4-2-6-18-12)15-14(9)13-5-3-7-19-13/h2-7,9,11,14-15,17H,8H2,1H3/b16-10+/t9-,11+,14-/m0/s1.
What are the key properties of (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine?
(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 260.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 6543489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).