1-ethyl-4-phenyl-1-propylpiperazin-1-ium

C15H25N2+ — CID 58063718

IUPAC1-ethyl-4-phenyl-1-propylpiperazin-1-ium
SMILESCCC[N+]1(CC)CCN(c2ccccc2)CC1
InChIInChI=1S/C15H25N2/c1-3-12-17(4-2)13-10-16(11-14-17)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3/q+1
InChIKeyDHDQZGGGSHPNSG-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.75
Rot. Bonds4

About 1-ethyl-4-phenyl-1-propylpiperazin-1-ium

1-ethyl-4-phenyl-1-propylpiperazin-1-ium (PubChem CID 58063718) has the molecular formula C15H25N2+ and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-ethyl-4-phenyl-1-propylpiperazin-1-ium.

Molecular Properties

Compound Name1-ethyl-4-phenyl-1-propylpiperazin-1-ium
PubChem CID58063718
Molecular FormulaC15H25N2+
Molecular Weight233.38 g/mol
Exact Mass233.20
IUPAC Name1-ethyl-4-phenyl-1-propylpiperazin-1-ium
SMILESCCC[N+]1(CC)CCN(c2ccccc2)CC1
InChIInChI=1S/C15H25N2/c1-3-12-17(4-2)13-10-16(11-14-17)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3/q+1
InChIKeyDHDQZGGGSHPNSG-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-(4,4-diethylpiperazin-4-ium-1-yl)phenol
CID 127039966
4-(4-chlorophenyl)-1,1-diethylpiperazin-1-ium
CID 127039294
1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium
CID 144727162
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
ethoxyethane;1-phenylpiperidine
CID 174883082
1-fluoro-4-phenylpiperazine
CID 23450926
1-(4-phenylpiperazin-1-yl)propan-1-ol
CID 57202840
4-benzyl-1,1-diethylpiperazin-1-ium bromide
CID 139730663
(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
CID 118737749
1-butylsulfanyl-4-phenylpiperazine
CID 91602178
magnesium;1-phenylpiperazine;propane;hydrobromide
CID 173457865
1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
CID 15946547

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenyl-1-propylpiperazin-1-ium?
The IUPAC name of 1-ethyl-4-phenyl-1-propylpiperazin-1-ium (CID 58063718) is 1-ethyl-4-phenyl-1-propylpiperazin-1-ium.
What is the SMILES notation for 1-ethyl-4-phenyl-1-propylpiperazin-1-ium?
The canonical SMILES for 1-ethyl-4-phenyl-1-propylpiperazin-1-ium is CCC[N+]1(CC)CCN(c2ccccc2)CC1.
What is the InChIKey of 1-ethyl-4-phenyl-1-propylpiperazin-1-ium?
The InChIKey is DHDQZGGGSHPNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2/c1-3-12-17(4-2)13-10-16(11-14-17)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3/q+1.
What are the key properties of 1-ethyl-4-phenyl-1-propylpiperazin-1-ium?
1-ethyl-4-phenyl-1-propylpiperazin-1-ium has a molecular weight of 233.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenyl-1-propylpiperazin-1-ium is sourced from PubChem (CID 58063718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).