9-benzyl-3-(piperazin-2-ylmethyl)carbazole

C24H25N3 — CID 175400244

IUPAC9-benzyl-3-(piperazin-2-ylmethyl)carbazole
SMILESc1ccc(Cn2c3ccccc3c3cc(CC4CNCCN4)ccc32)cc1
InChIInChI=1S/C24H25N3/c1-2-6-18(7-3-1)17-27-23-9-5-4-8-21(23)22-15-19(10-11-24(22)27)14-20-16-25-12-13-26-20/h1-11,15,20,25-26H,12-14,16-17H2
InChIKeyVLRCPEZOKUXYBB-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.95
Rot. Bonds4

About 9-benzyl-3-(piperazin-2-ylmethyl)carbazole

9-benzyl-3-(piperazin-2-ylmethyl)carbazole (PubChem CID 175400244) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 9-benzyl-3-(piperazin-2-ylmethyl)carbazole.

Molecular Properties

Compound Name9-benzyl-3-(piperazin-2-ylmethyl)carbazole
PubChem CID175400244
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name9-benzyl-3-(piperazin-2-ylmethyl)carbazole
SMILESc1ccc(Cn2c3ccccc3c3cc(CC4CNCCN4)ccc32)cc1
InChIInChI=1S/C24H25N3/c1-2-6-18(7-3-1)17-27-23-9-5-4-8-21(23)22-15-19(10-11-24(22)27)14-20-16-25-12-13-26-20/h1-11,15,20,25-26H,12-14,16-17H2
InChIKeyVLRCPEZOKUXYBB-UHFFFAOYSA-N
XLogP3.95
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-3-(piperazin-2-ylmethyl)indole
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(2S)-2-benzyl-1,4-diazocane
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3-[[(2S)-piperazin-2-yl]methyl]benzoic acid
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2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine
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(2S)-2-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane
CID 15386758
2-(2-phenylethyl)piperazine;dihydrochloride
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9-benzyl-2-bromocarbazole
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9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-(piperazin-2-ylmethyl)carbazole?
The IUPAC name of 9-benzyl-3-(piperazin-2-ylmethyl)carbazole (CID 175400244) is 9-benzyl-3-(piperazin-2-ylmethyl)carbazole.
What is the SMILES notation for 9-benzyl-3-(piperazin-2-ylmethyl)carbazole?
The canonical SMILES for 9-benzyl-3-(piperazin-2-ylmethyl)carbazole is c1ccc(Cn2c3ccccc3c3cc(CC4CNCCN4)ccc32)cc1.
What is the InChIKey of 9-benzyl-3-(piperazin-2-ylmethyl)carbazole?
The InChIKey is VLRCPEZOKUXYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-2-6-18(7-3-1)17-27-23-9-5-4-8-21(23)22-15-19(10-11-24(22)27)14-20-16-25-12-13-26-20/h1-11,15,20,25-26H,12-14,16-17H2.
What are the key properties of 9-benzyl-3-(piperazin-2-ylmethyl)carbazole?
9-benzyl-3-(piperazin-2-ylmethyl)carbazole has a molecular weight of 355.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-(piperazin-2-ylmethyl)carbazole is sourced from PubChem (CID 175400244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).