(2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile

C12H17N3 — CID 142349875

IUPAC(2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile
SMILESC=C/C(C#N)=C(\C=C)N1CCC(N)CC1
InChIInChI=1S/C12H17N3/c1-3-10(9-13)12(4-2)15-7-5-11(14)6-8-15/h3-4,11H,1-2,5-8,14H2/b12-10-
InChIKeyOCATUZPIOJJWRP-BENRWUELSA-N
MW203.29 g/mol
LogP1.56
Rot. Bonds3

About (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile

(2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile (PubChem CID 142349875) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile
PubChem CID142349875
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile
SMILESC=C/C(C#N)=C(\C=C)N1CCC(N)CC1
InChIInChI=1S/C12H17N3/c1-3-10(9-13)12(4-2)15-7-5-11(14)6-8-15/h3-4,11H,1-2,5-8,14H2/b12-10-
InChIKeyOCATUZPIOJJWRP-BENRWUELSA-N
XLogP1.56
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile?
The IUPAC name of (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile (CID 142349875) is (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile is C=C/C(C#N)=C(\C=C)N1CCC(N)CC1.
What is the InChIKey of (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile?
The InChIKey is OCATUZPIOJJWRP-BENRWUELSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-10(9-13)12(4-2)15-7-5-11(14)6-8-15/h3-4,11H,1-2,5-8,14H2/b12-10-.
What are the key properties of (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile?
(2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile has a molecular weight of 203.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile is sourced from PubChem (CID 142349875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).