1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol

C13H23N3O — CID 156802218

IUPAC1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol
SMILESCC/C=C(N)/C=C\N=C(/C)N1CCCC(O)C1
InChIInChI=1S/C13H23N3O/c1-3-5-12(14)7-8-15-11(2)16-9-4-6-13(17)10-16/h5,7-8,13,17H,3-4,6,9-10,14H2,1-2H3/b8-7-,12-5-,15-11+
InChIKeyULVWSVUZIGDDDI-RXWXNZOLSA-N
MW237.35 g/mol
LogP1.63
Rot. Bonds3

About 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol

1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol (PubChem CID 156802218) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol
PubChem CID156802218
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol
SMILESCC/C=C(N)/C=C\N=C(/C)N1CCCC(O)C1
InChIInChI=1S/C13H23N3O/c1-3-5-12(14)7-8-15-11(2)16-9-4-6-13(17)10-16/h5,7-8,13,17H,3-4,6,9-10,14H2,1-2H3/b8-7-,12-5-,15-11+
InChIKeyULVWSVUZIGDDDI-RXWXNZOLSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol?
The IUPAC name of 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol (CID 156802218) is 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol.
What is the SMILES notation for 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol?
The canonical SMILES for 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol is CC/C=C(N)/C=C\N=C(/C)N1CCCC(O)C1.
What is the InChIKey of 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol?
The InChIKey is ULVWSVUZIGDDDI-RXWXNZOLSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-12(14)7-8-15-11(2)16-9-4-6-13(17)10-16/h5,7-8,13,17H,3-4,6,9-10,14H2,1-2H3/b8-7-,12-5-,15-11+.
What are the key properties of 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol?
1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol has a molecular weight of 237.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol is sourced from PubChem (CID 156802218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).