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

C26H29N3 — CID 2845430

IUPAC9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN(c4ccc(C)cc4)CC3)ccc21
InChIInChI=1S/C26H29N3/c1-3-29-25-7-5-4-6-23(25)24-18-21(10-13-26(24)29)19-27-14-16-28(17-15-27)22-11-8-20(2)9-12-22/h4-13,18H,3,14-17,19H2,1-2H3
InChIKeyYMBFUFGCSBVCBU-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.45
Rot. Bonds4

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

9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole (PubChem CID 2845430) has the molecular formula C26H29N3 and a molecular weight of 383.54 g/mol. Its IUPAC name is 9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
PubChem CID2845430
Molecular FormulaC26H29N3
Molecular Weight383.54 g/mol
Exact Mass383.24
IUPAC Name9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN(c4ccc(C)cc4)CC3)ccc21
InChIInChI=1S/C26H29N3/c1-3-29-25-7-5-4-6-23(25)24-18-21(10-13-26(24)29)19-27-14-16-28(17-15-27)22-11-8-20(2)9-12-22/h4-13,18H,3,14-17,19H2,1-2H3
InChIKeyYMBFUFGCSBVCBU-UHFFFAOYSA-N
XLogP5.45
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
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-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole
CID 72548879
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366842
1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 6733236
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 17366841
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
CID 163326617
9-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]carbazole
CID 7060320

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole?
The IUPAC name of 9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole (CID 2845430) is 9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole?
The canonical SMILES for 9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole is CCn1c2ccccc2c2cc(CN3CCN(c4ccc(C)cc4)CC3)ccc21.
What is the InChIKey of 9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole?
The InChIKey is YMBFUFGCSBVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3/c1-3-29-25-7-5-4-6-23(25)24-18-21(10-13-26(24)29)19-27-14-16-28(17-15-27)22-11-8-20(2)9-12-22/h4-13,18H,3,14-17,19H2,1-2H3.
What are the key properties of 9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole?
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole has a molecular weight of 383.54 g/mol, XLogP of 5.45, 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-(4-methylphenyl)piperazin-1-yl]methyl]carbazole is sourced from PubChem (CID 2845430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).