1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol

C13H25N3O — CID 134406343

IUPAC1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol
SMILESCC(C)(C)/C(N)=C/C=C(\N)N1CCCC(O)C1
InChIInChI=1S/C13H25N3O/c1-13(2,3)11(14)6-7-12(15)16-8-4-5-10(17)9-16/h6-7,10,17H,4-5,8-9,14-15H2,1-3H3/b11-6-,12-7+
InChIKeyRLIMOMJIYGHTSJ-TWTKIJFOSA-N
MW239.36 g/mol
LogP1.13
Rot. Bonds2

About 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol

1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol (PubChem CID 134406343) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol
PubChem CID134406343
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol
SMILESCC(C)(C)/C(N)=C/C=C(\N)N1CCCC(O)C1
InChIInChI=1S/C13H25N3O/c1-13(2,3)11(14)6-7-12(15)16-8-4-5-10(17)9-16/h6-7,10,17H,4-5,8-9,14-15H2,1-3H3/b11-6-,12-7+
InChIKeyRLIMOMJIYGHTSJ-TWTKIJFOSA-N
XLogP1.13
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol
CID 145198105
1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]pyrrolidin-3-ol;ethane
CID 145197855
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
2-fluoro-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 126972948
N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
CID 114292730
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 93040618
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
1-(3-hydroxypiperidin-1-yl)ethanone;methanethiol
CID 143678194

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol?
The IUPAC name of 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol (CID 134406343) is 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol.
What is the SMILES notation for 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol?
The canonical SMILES for 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol is CC(C)(C)/C(N)=C/C=C(\N)N1CCCC(O)C1.
What is the InChIKey of 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol?
The InChIKey is RLIMOMJIYGHTSJ-TWTKIJFOSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)11(14)6-7-12(15)16-8-4-5-10(17)9-16/h6-7,10,17H,4-5,8-9,14-15H2,1-3H3/b11-6-,12-7+.
What are the key properties of 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol?
1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol has a molecular weight of 239.36 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol is sourced from PubChem (CID 134406343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).