1-hexyl-4-(3-phenylprop-2-enyl)piperazine

C19H30N2 — CID 71410335

IUPAC1-hexyl-4-(3-phenylprop-2-enyl)piperazine
SMILESCCCCCCN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2/c1-2-3-4-8-13-20-15-17-21(18-16-20)14-9-12-19-10-6-5-7-11-19/h5-7,9-12H,2-4,8,13-18H2,1H3
InChIKeyYJAJCASLEBUHMB-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.90
Rot. Bonds8

About 1-hexyl-4-(3-phenylprop-2-enyl)piperazine

1-hexyl-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 71410335) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-hexyl-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-hexyl-4-(3-phenylprop-2-enyl)piperazine
PubChem CID71410335
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-hexyl-4-(3-phenylprop-2-enyl)piperazine
SMILESCCCCCCN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2/c1-2-3-4-8-13-20-15-17-21(18-16-20)14-9-12-19-10-6-5-7-11-19/h5-7,9-12H,2-4,8,13-18H2,1H3
InChIKeyYJAJCASLEBUHMB-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide
CID 113123058
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-benzyl-4-heptylpiperazine
CID 22088087
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide
CID 112984571
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-hexyl-4-(3-phenylprop-2-enyl)piperazine (CID 71410335) is 1-hexyl-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-hexyl-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-hexyl-4-(3-phenylprop-2-enyl)piperazine is CCCCCCN1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 1-hexyl-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is YJAJCASLEBUHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-3-4-8-13-20-15-17-21(18-16-20)14-9-12-19-10-6-5-7-11-19/h5-7,9-12H,2-4,8,13-18H2,1H3.
What are the key properties of 1-hexyl-4-(3-phenylprop-2-enyl)piperazine?
1-hexyl-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 71410335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).