2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol

C19H29NO2 — CID 15024206

IUPAC2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCCCC1)O2
InChIInChI=1S/C19H29NO2/c1-13-14(2)18-16(15(3)17(13)21)8-9-19(4,22-18)12-20-10-6-5-7-11-20/h21H,5-12H2,1-4H3
InChIKeyPBCQGHLWRJFSAD-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.89
Rot. Bonds2

About 2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol (PubChem CID 15024206) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol
PubChem CID15024206
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCCCC1)O2
InChIInChI=1S/C19H29NO2/c1-13-14(2)18-16(15(3)17(13)21)8-9-19(4,22-18)12-20-10-6-5-7-11-20/h21H,5-12H2,1-4H3
InChIKeyPBCQGHLWRJFSAD-UHFFFAOYSA-N
XLogP3.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.89
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-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol (CID 15024206) is 2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCCCC1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol?
The InChIKey is PBCQGHLWRJFSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13-14(2)18-16(15(3)17(13)21)8-9-19(4,22-18)12-20-10-6-5-7-11-20/h21H,5-12H2,1-4H3.
What are the key properties of 2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol has a molecular weight of 303.45 g/mol, XLogP of 3.89, 2 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-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 15024206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).