2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol

C23H31N3O2 — CID 10339822

IUPAC2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3ccccn3)CC1)O2
InChIInChI=1S/C23H31N3O2/c1-16-17(2)22-19(18(3)21(16)27)8-9-23(4,28-22)15-25-11-13-26(14-12-25)20-7-5-6-10-24-20/h5-7,10,27H,8-9,11-15H2,1-4H3
InChIKeyLFONPADNCYLKTP-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.62
Rot. Bonds3

About 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol (PubChem CID 10339822) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol
PubChem CID10339822
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3ccccn3)CC1)O2
InChIInChI=1S/C23H31N3O2/c1-16-17(2)22-19(18(3)21(16)27)8-9-23(4,28-22)15-25-11-13-26(14-12-25)20-7-5-6-10-24-20/h5-7,10,27H,8-9,11-15H2,1-4H3
InChIKeyLFONPADNCYLKTP-UHFFFAOYSA-N
XLogP3.62
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol (CID 10339822) is 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3ccccn3)CC1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol?
The InChIKey is LFONPADNCYLKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-16-17(2)22-19(18(3)21(16)27)8-9-23(4,28-22)15-25-11-13-26(14-12-25)20-7-5-6-10-24-20/h5-7,10,27H,8-9,11-15H2,1-4H3.
What are the key properties of 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol has a molecular weight of 381.52 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 10339822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).