5-benzyl-1-prop-2-enyl-2-propylpiperazine

C17H26N2 — CID 64847816

IUPAC5-benzyl-1-prop-2-enyl-2-propylpiperazine
SMILESC=CCN1CC(Cc2ccccc2)NCC1CCC
InChIInChI=1S/C17H26N2/c1-3-8-17-13-18-16(14-19(17)11-4-2)12-15-9-6-5-7-10-15/h4-7,9-10,16-18H,2-3,8,11-14H2,1H3
InChIKeyYLGLSFULVZTNFD-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.86
Rot. Bonds6

About 5-benzyl-1-prop-2-enyl-2-propylpiperazine

5-benzyl-1-prop-2-enyl-2-propylpiperazine (PubChem CID 64847816) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-benzyl-1-prop-2-enyl-2-propylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-prop-2-enyl-2-propylpiperazine
PubChem CID64847816
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-benzyl-1-prop-2-enyl-2-propylpiperazine
SMILESC=CCN1CC(Cc2ccccc2)NCC1CCC
InChIInChI=1S/C17H26N2/c1-3-8-17-13-18-16(14-19(17)11-4-2)12-15-9-6-5-7-10-15/h4-7,9-10,16-18H,2-3,8,11-14H2,1H3
InChIKeyYLGLSFULVZTNFD-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.86
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

5-benzyl-1-(2-methoxyethyl)-2-propylpiperazine
CID 64848203
5-benzyl-1-cyclopentyl-2-propylpiperazine
CID 82923892
(5-benzyl-1-ethylpiperazin-2-yl)methanol
CID 82243258
1,2,5-tribenzylpiperazine
CID 64850137
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
CID 64936280
5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510
2-benzyl-1-(cyclobutylmethyl)-5-propylpiperazine
CID 65463489
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
2-benzyl-5-ethyl-1-pentylpiperazine
CID 64843710
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
5-(2-methylpropyl)-2-propyl-1-(pyridin-3-ylmethyl)piperazine
CID 64847577

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-prop-2-enyl-2-propylpiperazine?
The IUPAC name of 5-benzyl-1-prop-2-enyl-2-propylpiperazine (CID 64847816) is 5-benzyl-1-prop-2-enyl-2-propylpiperazine.
What is the SMILES notation for 5-benzyl-1-prop-2-enyl-2-propylpiperazine?
The canonical SMILES for 5-benzyl-1-prop-2-enyl-2-propylpiperazine is C=CCN1CC(Cc2ccccc2)NCC1CCC.
What is the InChIKey of 5-benzyl-1-prop-2-enyl-2-propylpiperazine?
The InChIKey is YLGLSFULVZTNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-8-17-13-18-16(14-19(17)11-4-2)12-15-9-6-5-7-10-15/h4-7,9-10,16-18H,2-3,8,11-14H2,1H3.
What are the key properties of 5-benzyl-1-prop-2-enyl-2-propylpiperazine?
5-benzyl-1-prop-2-enyl-2-propylpiperazine has a molecular weight of 258.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-prop-2-enyl-2-propylpiperazine is sourced from PubChem (CID 64847816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).