(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride

C18H27ClN2O3 — CID 72950434

IUPAC(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCNCC1)O2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-11-12(2)16-14(13(3)15(11)21)5-6-18(4,23-16)17(22)20-9-7-19-8-10-20;/h19,21H,5-10H2,1-4H3;1H
InChIKeyPLQHNEVLWPLIKP-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.25
Rot. Bonds1

About (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride

(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 72950434) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID72950434
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCNCC1)O2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-11-12(2)16-14(13(3)15(11)21)5-6-18(4,23-16)17(22)20-9-7-19-8-10-20;/h19,21H,5-10H2,1-4H3;1H
InChIKeyPLQHNEVLWPLIKP-UHFFFAOYSA-N
XLogP2.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride (CID 72950434) is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCNCC1)O2.Cl.
What is the InChIKey of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is PLQHNEVLWPLIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-11-12(2)16-14(13(3)15(11)21)5-6-18(4,23-16)17(22)20-9-7-19-8-10-20;/h19,21H,5-10H2,1-4H3;1H.
What are the key properties of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride?
(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 72950434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).