1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine

C20H39N3 — CID 70026891

IUPAC1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
SMILESCC/C(C)=C(\C(C)(C)N1CCCCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C20H39N3/c1-7-17(2)18(19(3,4)22-13-9-8-10-14-22)20(5,6)23-15-11-21-12-16-23/h21H,7-16H2,1-6H3/b18-17+
InChIKeyLIEVEMUDFGDGQK-ISLYRVAYSA-N
MW321.55 g/mol
LogP3.66
Rot. Bonds5

About 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine

1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine (PubChem CID 70026891) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
PubChem CID70026891
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
SMILESCC/C(C)=C(\C(C)(C)N1CCCCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C20H39N3/c1-7-17(2)18(19(3,4)22-13-9-8-10-14-22)20(5,6)23-15-11-21-12-16-23/h21H,7-16H2,1-6H3/b18-17+
InChIKeyLIEVEMUDFGDGQK-ISLYRVAYSA-N
XLogP3.66
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine?
The IUPAC name of 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine (CID 70026891) is 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine?
The canonical SMILES for 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine is CC/C(C)=C(\C(C)(C)N1CCCCC1)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine?
The InChIKey is LIEVEMUDFGDGQK-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H39N3/c1-7-17(2)18(19(3,4)22-13-9-8-10-14-22)20(5,6)23-15-11-21-12-16-23/h21H,7-16H2,1-6H3/b18-17+.
What are the key properties of 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine?
1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine has a molecular weight of 321.55 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine is sourced from PubChem (CID 70026891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).