9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole

C25H27N3 — CID 2058524

IUPAC9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C25H27N3/c1-2-28-24-11-7-6-10-22(24)23-18-20(12-13-25(23)28)19-26-14-16-27(17-15-26)21-8-4-3-5-9-21/h3-13,18H,2,14-17,19H2,1H3
InChIKeyAOHNWMLKNQDQLD-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.14
Rot. Bonds4

About 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole

9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole (PubChem CID 2058524) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
PubChem CID2058524
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C25H27N3/c1-2-28-24-11-7-6-10-22(24)23-18-20(12-13-25(23)28)19-26-14-16-27(17-15-26)21-8-4-3-5-9-21/h3-13,18H,2,14-17,19H2,1H3
InChIKeyAOHNWMLKNQDQLD-UHFFFAOYSA-N
XLogP5.14
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366842
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 17366841
9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole
CID 72548879
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
CID 163326617
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
3-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole;oxalic acid
CID 2874389
4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid
CID 59506617
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole?
The IUPAC name of 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole (CID 2058524) is 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole is CCn1c2ccccc2c2cc(CN3CCN(c4ccccc4)CC3)ccc21.
What is the InChIKey of 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole?
The InChIKey is AOHNWMLKNQDQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3/c1-2-28-24-11-7-6-10-22(24)23-18-20(12-13-25(23)28)19-26-14-16-27(17-15-26)21-8-4-3-5-9-21/h3-13,18H,2,14-17,19H2,1H3.
What are the key properties of 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole?
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole has a molecular weight of 369.51 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole is sourced from PubChem (CID 2058524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).