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

C12H23N3O — CID 145198105

IUPAC1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol
SMILESCC(C)/C(N)=C/C=C(\N)N1CCCC(O)C1
InChIInChI=1S/C12H23N3O/c1-9(2)11(13)5-6-12(14)15-7-3-4-10(16)8-15/h5-6,9-10,16H,3-4,7-8,13-14H2,1-2H3/b11-5-,12-6+
InChIKeyNXZGEPYNSVEQAM-JTAXDKCCSA-N
MW225.34 g/mol
LogP0.74
Rot. Bonds3

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

1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol (PubChem CID 145198105) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol
PubChem CID145198105
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol
SMILESCC(C)/C(N)=C/C=C(\N)N1CCCC(O)C1
InChIInChI=1S/C12H23N3O/c1-9(2)11(13)5-6-12(14)15-7-3-4-10(16)8-15/h5-6,9-10,16H,3-4,7-8,13-14H2,1-2H3/b11-5-,12-6+
InChIKeyNXZGEPYNSVEQAM-JTAXDKCCSA-N
XLogP0.74
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.74
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-5,5-dimethylhexa-1,3-dienyl]piperidin-3-ol
CID 134406343
1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]pyrrolidin-3-ol;ethane
CID 145197855
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
CID 107224947
1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 107224856
1-(3-hydroxypiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 60841645
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597
1-(3-hydroxypiperidin-1-yl)ethanone;methanethiol
CID 143678194
1-(1-cyclopropylethyl)piperidin-3-ol
CID 130668092
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol?
The IUPAC name of 1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol (CID 145198105) is 1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol.
What is the SMILES notation for 1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol?
The canonical SMILES for 1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol is CC(C)/C(N)=C/C=C(\N)N1CCCC(O)C1.
What is the InChIKey of 1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol?
The InChIKey is NXZGEPYNSVEQAM-JTAXDKCCSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)11(13)5-6-12(14)15-7-3-4-10(16)8-15/h5-6,9-10,16H,3-4,7-8,13-14H2,1-2H3/b11-5-,12-6+.
What are the key properties of 1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol?
1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]piperidin-3-ol has a molecular weight of 225.34 g/mol, XLogP of 0.74, 3 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-methylhexa-1,3-dienyl]piperidin-3-ol is sourced from PubChem (CID 145198105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).