1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine

C17H31N3 — CID 157211575

IUPAC1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine
SMILESC=C(/C=C/CN1CCCCC1)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H31N3/c1-16(2)19-12-14-20(15-13-19)17(3)8-7-11-18-9-5-4-6-10-18/h7-8,16H,3-6,9-15H2,1-2H3/b8-7+
InChIKeyULISCTKGBDZFGK-BQYQJAHWSA-N
MW277.46 g/mol
LogP2.57
Rot. Bonds5

About 1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine

1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine (PubChem CID 157211575) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine
PubChem CID157211575
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine
SMILESC=C(/C=C/CN1CCCCC1)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H31N3/c1-16(2)19-12-14-20(15-13-19)17(3)8-7-11-18-9-5-4-6-10-18/h7-8,16H,3-6,9-15H2,1-2H3/b8-7+
InChIKeyULISCTKGBDZFGK-BQYQJAHWSA-N
XLogP2.57
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
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-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine (CID 157211575) is 1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine is C=C(/C=C/CN1CCCCC1)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine?
The InChIKey is ULISCTKGBDZFGK-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H31N3/c1-16(2)19-12-14-20(15-13-19)17(3)8-7-11-18-9-5-4-6-10-18/h7-8,16H,3-6,9-15H2,1-2H3/b8-7+.
What are the key properties of 1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine?
1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine has a molecular weight of 277.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 157211575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).