1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol

C13H22N2O — CID 88905165

IUPAC1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(CN1CCC(O)CC1)\C(N)=C/C
InChIInChI=1S/C13H22N2O/c1-3-5-11(13(14)4-2)10-15-8-6-12(16)7-9-15/h3-5,12,16H,1,6-10,14H2,2H3/b11-5-,13-4+
InChIKeyVLVKHQSNHKUHKA-XVJKMRDASA-N
MW222.33 g/mol
LogP1.42
Rot. Bonds4

About 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol

1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol (PubChem CID 88905165) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
PubChem CID88905165
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(CN1CCC(O)CC1)\C(N)=C/C
InChIInChI=1S/C13H22N2O/c1-3-5-11(13(14)4-2)10-15-8-6-12(16)7-9-15/h3-5,12,16H,1,6-10,14H2,2H3/b11-5-,13-4+
InChIKeyVLVKHQSNHKUHKA-XVJKMRDASA-N
XLogP1.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
The IUPAC name of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol (CID 88905165) is 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
The canonical SMILES for 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol is C=C/C=C(CN1CCC(O)CC1)\C(N)=C/C.
What is the InChIKey of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
The InChIKey is VLVKHQSNHKUHKA-XVJKMRDASA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-5-11(13(14)4-2)10-15-8-6-12(16)7-9-15/h3-5,12,16H,1,6-10,14H2,2H3/b11-5-,13-4+.
What are the key properties of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol has a molecular weight of 222.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol is sourced from PubChem (CID 88905165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).