9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole

C27H33N3+2 — CID 2162936

IUPAC9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole
SMILESCCn1c2ccccc2c2cc(C[NH+]3CC[NH+](Cc4ccccc4C)CC3)ccc21
InChIInChI=1S/C27H31N3/c1-3-30-26-11-7-6-10-24(26)25-18-22(12-13-27(25)30)19-28-14-16-29(17-15-28)20-23-9-5-4-8-21(23)2/h4-13,18H,3,14-17,19-20H2,1-2H3/p+2
InChIKeyCXGGJWPTSKYBDB-UHFFFAOYSA-P
MW399.58 g/mol
LogP2.61
Rot. Bonds5

About 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole

9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole (PubChem CID 2162936) has the molecular formula C27H33N3+2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole
PubChem CID2162936
Molecular FormulaC27H33N3+2
Molecular Weight399.58 g/mol
Exact Mass399.27
IUPAC Name9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole
SMILESCCn1c2ccccc2c2cc(C[NH+]3CC[NH+](Cc4ccccc4C)CC3)ccc21
InChIInChI=1S/C27H31N3/c1-3-30-26-11-7-6-10-24(26)25-18-22(12-13-27(25)30)19-28-14-16-29(17-15-28)20-23-9-5-4-8-21(23)2/h4-13,18H,3,14-17,19-20H2,1-2H3/p+2
InChIKeyCXGGJWPTSKYBDB-UHFFFAOYSA-P
XLogP2.61
TPSA13.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

9-ethyl-3-[3-(2-methylphenyl)propyl]carbazole
CID 159633776
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CID 7027663
9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
CID 153374745
9-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]carbazole
CID 7060320
1-[(3-chlorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium
CID 4744297
[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone
CID 2165679
N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430
azepan-1-yl-[(3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone
CID 7114273
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
9-ethylcarbazole;4-ethyl-1-methyl-2-(2-methylphenyl)benzene
CID 143561149
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole?
The IUPAC name of 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole (CID 2162936) is 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole?
The canonical SMILES for 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole is CCn1c2ccccc2c2cc(C[NH+]3CC[NH+](Cc4ccccc4C)CC3)ccc21.
What is the InChIKey of 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole?
The InChIKey is CXGGJWPTSKYBDB-UHFFFAOYSA-P. The full InChI is InChI=1S/C27H31N3/c1-3-30-26-11-7-6-10-24(26)25-18-22(12-13-27(25)30)19-28-14-16-29(17-15-28)20-23-9-5-4-8-21(23)2/h4-13,18H,3,14-17,19-20H2,1-2H3/p+2.
What are the key properties of 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole?
9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole has a molecular weight of 399.58 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole is sourced from PubChem (CID 2162936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).