4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol

C17H26N2O2 — CID 82958421

IUPAC4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
SMILESCCN1CCN(C2CC(C)(C)Oc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O2/c1-4-18-7-9-19(10-8-18)15-12-17(2,3)21-16-11-13(20)5-6-14(15)16/h5-6,11,15,20H,4,7-10,12H2,1-3H3
InChIKeyCGZOCYCVCKDHLK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.63
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol

4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol (PubChem CID 82958421) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
PubChem CID82958421
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
SMILESCCN1CCN(C2CC(C)(C)Oc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O2/c1-4-18-7-9-19(10-8-18)15-12-17(2,3)21-16-11-13(20)5-6-14(15)16/h5-6,11,15,20H,4,7-10,12H2,1-3H3
InChIKeyCGZOCYCVCKDHLK-UHFFFAOYSA-N
XLogP2.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol
CID 82959521
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol
CID 104969291
1-(4-ethylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684921
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]-3,4-dihydrochromen-7-ol
CID 82958270
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82986131
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol
CID 82957858
2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol
CID 82965841
1-[7-(benzenesulfonyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperazine
CID 11632445
4-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65066158
3-(4-ethoxypiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981566
3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol (CID 82958421) is 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol is CCN1CCN(C2CC(C)(C)Oc3cc(O)ccc32)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol?
The InChIKey is CGZOCYCVCKDHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18-7-9-19(10-8-18)15-12-17(2,3)21-16-11-13(20)5-6-14(15)16/h5-6,11,15,20H,4,7-10,12H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol?
4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol has a molecular weight of 290.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol is sourced from PubChem (CID 82958421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).