[4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone

C24H29ClN2O3 — CID 10048250

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)O2
InChIInChI=1S/C24H29ClN2O3/c1-15-16(2)22-20(17(3)21(15)28)9-10-24(4,30-22)23(29)27-13-11-26(12-14-27)19-7-5-18(25)6-8-19/h5-8,28H,9-14H2,1-4H3
InChIKeyFTQCIERHWNMELO-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.40
Rot. Bonds2

About [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone (PubChem CID 10048250) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone
PubChem CID10048250
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)O2
InChIInChI=1S/C24H29ClN2O3/c1-15-16(2)22-20(17(3)21(15)28)9-10-24(4,30-22)23(29)27-13-11-26(12-14-27)19-7-5-18(25)6-8-19/h5-8,28H,9-14H2,1-4H3
InChIKeyFTQCIERHWNMELO-UHFFFAOYSA-N
XLogP4.40
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone (CID 10048250) is [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)O2.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone?
The InChIKey is FTQCIERHWNMELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-15-16(2)22-20(17(3)21(15)28)9-10-24(4,30-22)23(29)27-13-11-26(12-14-27)19-7-5-18(25)6-8-19/h5-8,28H,9-14H2,1-4H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone has a molecular weight of 428.96 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone is sourced from PubChem (CID 10048250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).