2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol

C26H35NO2 — CID 139676968

IUPAC2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCC(c3ccccc3)CC1)O2
InChIInChI=1S/C26H35NO2/c1-18-19(2)25-23(20(3)24(18)28)10-13-26(4,29-25)14-17-27-15-11-22(12-16-27)21-8-6-5-7-9-21/h5-9,22,28H,10-17H2,1-4H3
InChIKeyWYLFCXHFYQMVHC-UHFFFAOYSA-N
MW393.57 g/mol
LogP5.67
Rot. Bonds4

About 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol (PubChem CID 139676968) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol
PubChem CID139676968
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCC(c3ccccc3)CC1)O2
InChIInChI=1S/C26H35NO2/c1-18-19(2)25-23(20(3)24(18)28)10-13-26(4,29-25)14-17-27-15-11-22(12-16-27)21-8-6-5-7-9-21/h5-9,22,28H,10-17H2,1-4H3
InChIKeyWYLFCXHFYQMVHC-UHFFFAOYSA-N
XLogP5.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol (CID 139676968) is 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCC(c3ccccc3)CC1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol?
The InChIKey is WYLFCXHFYQMVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-18-19(2)25-23(20(3)24(18)28)10-13-26(4,29-25)14-17-27-15-11-22(12-16-27)21-8-6-5-7-9-21/h5-9,22,28H,10-17H2,1-4H3.
What are the key properties of 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol has a molecular weight of 393.57 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 139676968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).