4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid

C30H35N3O7 — CID 17366841

IUPAC4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
SMILESCCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)c(O)c(OC)c4)CC3)ccc21.O=C(O)C(=O)O
InChIInChI=1S/C28H33N3O3.C2H2O4/c1-4-31-24-8-6-5-7-22(24)23-15-20(9-10-25(23)31)18-29-11-13-30(14-12-29)19-21-16-26(33-2)28(32)27(17-21)34-3;3-1(4)2(5)6/h5-10,15-17,32H,4,11-14,18-19H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyQNFXHOWEGKRAOX-UHFFFAOYSA-N
MW549.62 g/mol
LogP4.01
Rot. Bonds7

About 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid

4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid (PubChem CID 17366841) has the molecular formula C30H35N3O7 and a molecular weight of 549.62 g/mol. Its IUPAC name is 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid.

Molecular Properties

Compound Name4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
PubChem CID17366841
Molecular FormulaC30H35N3O7
Molecular Weight549.62 g/mol
Exact Mass549.25
IUPAC Name4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
SMILESCCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)c(O)c(OC)c4)CC3)ccc21.O=C(O)C(=O)O
InChIInChI=1S/C28H33N3O3.C2H2O4/c1-4-31-24-8-6-5-7-22(24)23-15-20(9-10-25(23)31)18-29-11-13-30(14-12-29)19-21-16-26(33-2)28(32)27(17-21)34-3;3-1(4)2(5)6/h5-10,15-17,32H,4,11-14,18-19H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyQNFXHOWEGKRAOX-UHFFFAOYSA-N
XLogP4.01
TPSA124.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.62
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid with MolForge

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Related Compounds

3-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole;oxalic acid
CID 2874389
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-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
CID 163326617
1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 6733236
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
3-[[4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole
CID 2162914
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol;oxalic acid
CID 17366102
2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 90483640

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid?
The IUPAC name of 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid (CID 17366841) is 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid.
What is the SMILES notation for 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid?
The canonical SMILES for 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid is CCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)c(O)c(OC)c4)CC3)ccc21.O=C(O)C(=O)O.
What is the InChIKey of 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid?
The InChIKey is QNFXHOWEGKRAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3.C2H2O4/c1-4-31-24-8-6-5-7-22(24)23-15-20(9-10-25(23)31)18-29-11-13-30(14-12-29)19-21-16-26(33-2)28(32)27(17-21)34-3;3-1(4)2(5)6/h5-10,15-17,32H,4,11-14,18-19H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid?
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid has a molecular weight of 549.62 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid is sourced from PubChem (CID 17366841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).