1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine

C23H30N2O2 — CID 46910477

IUPAC1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C[C@H](C)O4)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-15-14-21-18(4)22(16(2)17(3)23(21)27-15)25-12-10-24(11-13-25)19-6-8-20(26-5)9-7-19/h6-9,15H,10-14H2,1-5H3/t15-/m0/s1
InChIKeyYVBZPAWLIVCPHA-HNNXBMFYSA-N
MW366.51 g/mol
LogP4.27
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine

1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine (PubChem CID 46910477) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine
PubChem CID46910477
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C[C@H](C)O4)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-15-14-21-18(4)22(16(2)17(3)23(21)27-15)25-12-10-24(11-13-25)19-6-8-20(26-5)9-7-19/h6-9,15H,10-14H2,1-5H3/t15-/m0/s1
InChIKeyYVBZPAWLIVCPHA-HNNXBMFYSA-N
XLogP4.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine (CID 46910477) is 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine is COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C[C@H](C)O4)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine?
The InChIKey is YVBZPAWLIVCPHA-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-15-14-21-18(4)22(16(2)17(3)23(21)27-15)25-12-10-24(11-13-25)19-6-8-20(26-5)9-7-19/h6-9,15H,10-14H2,1-5H3/t15-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine?
1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine has a molecular weight of 366.51 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[(2S)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine is sourced from PubChem (CID 46910477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).