1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine

C14H26N2 — CID 107897904

IUPAC1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine
SMILESC/C=C/CN1CC(CCC)NCC1C1CC1
InChIInChI=1S/C14H26N2/c1-3-5-9-16-11-13(6-4-2)15-10-14(16)12-7-8-12/h3,5,12-15H,4,6-11H2,1-2H3/b5-3+
InChIKeyBTPIMJRYJQCRFH-HWKANZROSA-N
MW222.38 g/mol
LogP2.41
Rot. Bonds5

About 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine

1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine (PubChem CID 107897904) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine
PubChem CID107897904
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine
SMILESC/C=C/CN1CC(CCC)NCC1C1CC1
InChIInChI=1S/C14H26N2/c1-3-5-9-16-11-13(6-4-2)15-10-14(16)12-7-8-12/h3,5,12-15H,4,6-11H2,1-2H3/b5-3+
InChIKeyBTPIMJRYJQCRFH-HWKANZROSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine
CID 114013929
2-cyclopropyl-1-ethyl-5-propylpiperazine
CID 64838589
1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine
CID 107897901
2-cyclopropyl-1-(cyclopropylmethyl)-5-propylpiperazine
CID 64838783
2-cyclopropyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64840726
1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine
CID 64839370
1-benzyl-2-cyclopropyl-5-propylpiperazine
CID 64839373
2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106732860
2-cyclohexyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838406
2-cyclopropyl-5-ethyl-1-propylpiperazine
CID 64842143
2-cyclohexyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83148151
2-cyclopropyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64838011

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine (CID 107897904) is 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine is C/C=C/CN1CC(CCC)NCC1C1CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine?
The InChIKey is BTPIMJRYJQCRFH-HWKANZROSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-5-9-16-11-13(6-4-2)15-10-14(16)12-7-8-12/h3,5,12-15H,4,6-11H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine?
1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine has a molecular weight of 222.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine is sourced from PubChem (CID 107897904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).