4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine

C23H26N3+ — CID 4746624

IUPAC4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine
SMILESC=C(NN1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3/c1-19(22-12-11-21-9-5-6-10-23(21)17-22)24-26-15-13-25(14-16-26)18-20-7-3-2-4-8-20/h2-12,17,24H,1,13-16,18H2/p+1
InChIKeyGWJXWTFHAGWWMW-UHFFFAOYSA-O
MW344.48 g/mol
LogP2.72
Rot. Bonds5

About 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine

4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine (PubChem CID 4746624) has the molecular formula C23H26N3+ and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine.

Molecular Properties

Compound Name4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine
PubChem CID4746624
Molecular FormulaC23H26N3+
Molecular Weight344.48 g/mol
Exact Mass344.21
IUPAC Name4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine
SMILESC=C(NN1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3/c1-19(22-12-11-21-9-5-6-10-23(21)17-22)24-26-15-13-25(14-16-26)18-20-7-3-2-4-8-20/h2-12,17,24H,1,13-16,18H2/p+1
InChIKeyGWJXWTFHAGWWMW-UHFFFAOYSA-O
XLogP2.72
TPSA19.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol
CID 5098999
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-naphthalen-2-ylethanimine
CID 7422706
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461
4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine
CID 2273174
(4-benzylpiperazin-4-ium-1-yl)-(4-chlorophenyl)methanethione
CID 7446558
(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111
1-naphthalen-2-ylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium
CID 4755936
1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
CID 4744293
dinaphthalen-2-ylmethylidenezirconium(2+)
CID 23124106
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106254

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine?
The IUPAC name of 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine (CID 4746624) is 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine.
What is the SMILES notation for 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine?
The canonical SMILES for 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine is C=C(NN1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine?
The InChIKey is GWJXWTFHAGWWMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3/c1-19(22-12-11-21-9-5-6-10-23(21)17-22)24-26-15-13-25(14-16-26)18-20-7-3-2-4-8-20/h2-12,17,24H,1,13-16,18H2/p+1.
What are the key properties of 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine?
4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine has a molecular weight of 344.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine is sourced from PubChem (CID 4746624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).