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

C13H25N3O — CID 145197593

IUPAC1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol
SMILESCC(C)(C)/C(N)=C/C=C(\N)N1CCC(O)CC1
InChIInChI=1S/C13H25N3O/c1-13(2,3)11(14)4-5-12(15)16-8-6-10(17)7-9-16/h4-5,10,17H,6-9,14-15H2,1-3H3/b11-4-,12-5+
InChIKeyHWXBOVNRGOBKCW-NKXDNZRASA-N
MW239.36 g/mol
LogP1.13
Rot. Bonds2

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

1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol (PubChem CID 145197593) 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-4-ol.

Molecular Properties

Compound Name1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol
PubChem CID145197593
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol
SMILESCC(C)(C)/C(N)=C/C=C(\N)N1CCC(O)CC1
InChIInChI=1S/C13H25N3O/c1-13(2,3)11(14)4-5-12(15)16-8-6-10(17)7-9-16/h4-5,10,17H,6-9,14-15H2,1-3H3/b11-4-,12-5+
InChIKeyHWXBOVNRGOBKCW-NKXDNZRASA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol?
The IUPAC name of 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol (CID 145197593) is 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol?
The canonical SMILES for 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol is CC(C)(C)/C(N)=C/C=C(\N)N1CCC(O)CC1.
What is the InChIKey of 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol?
The InChIKey is HWXBOVNRGOBKCW-NKXDNZRASA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)11(14)4-5-12(15)16-8-6-10(17)7-9-16/h4-5,10,17H,6-9,14-15H2,1-3H3/b11-4-,12-5+.
What are the key properties of 1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-ol?
1-[(1E,3Z)-1,4-diamino-5,5-dimethylhexa-1,3-dienyl]piperidin-4-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-4-ol is sourced from PubChem (CID 145197593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).