[1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol

C11H20N4O2 — CID 134406837

IUPAC[1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol
SMILESC/C(N)=C/C=C(\N)N1CCCC(C(O)N=O)C1
InChIInChI=1S/C11H20N4O2/c1-8(12)4-5-10(13)15-6-2-3-9(7-15)11(16)14-17/h4-5,9,11,16H,2-3,6-7,12-13H2,1H3/b8-4-,10-5+
InChIKeyVVLAZSYXKUTHGE-HZEUFOEUSA-N
MW240.31 g/mol
LogP0.45
Rot. Bonds4

About [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol

[1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol (PubChem CID 134406837) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol.

Molecular Properties

Compound Name[1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol
PubChem CID134406837
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name[1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol
SMILESC/C(N)=C/C=C(\N)N1CCCC(C(O)N=O)C1
InChIInChI=1S/C11H20N4O2/c1-8(12)4-5-10(13)15-6-2-3-9(7-15)11(16)14-17/h4-5,9,11,16H,2-3,6-7,12-13H2,1H3/b8-4-,10-5+
InChIKeyVVLAZSYXKUTHGE-HZEUFOEUSA-N
XLogP0.45
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 145198027
1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]pyrrolidin-3-ol;ethane
CID 145197855
(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane
CID 145198026
1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol
CID 145198105
1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol
CID 134406343
2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
CID 131491204
(Z)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methylbut-2-en-1-one
CID 99702679
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone
CID 115006831
(E)-1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbut-2-en-1-one;hydrochloride
CID 132970517
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090

Frequently Asked Questions

What is the IUPAC name of [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol?
The IUPAC name of [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol (CID 134406837) is [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol.
What is the SMILES notation for [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol?
The canonical SMILES for [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol is C/C(N)=C/C=C(\N)N1CCCC(C(O)N=O)C1.
What is the InChIKey of [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol?
The InChIKey is VVLAZSYXKUTHGE-HZEUFOEUSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(12)4-5-10(13)15-6-2-3-9(7-15)11(16)14-17/h4-5,9,11,16H,2-3,6-7,12-13H2,1H3/b8-4-,10-5+.
What are the key properties of [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol?
[1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol has a molecular weight of 240.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperidin-3-yl]-nitrosomethanol is sourced from PubChem (CID 134406837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).