7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol

C14H20N2O2 — CID 153353464

IUPAC7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol
SMILESCN1CCN(c2cc(O)c3c(c2)OCCC3)CC1
InChIInChI=1S/C14H20N2O2/c1-15-4-6-16(7-5-15)11-9-13(17)12-3-2-8-18-14(12)10-11/h9-10,17H,2-8H2,1H3
InChIKeyZEABWNQQFVFFQW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds1

About 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol

7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol (PubChem CID 153353464) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol
PubChem CID153353464
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol
SMILESCN1CCN(c2cc(O)c3c(c2)OCCC3)CC1
InChIInChI=1S/C14H20N2O2/c1-15-4-6-16(7-5-15)11-9-13(17)12-3-2-8-18-14(12)10-11/h9-10,17H,2-8H2,1H3
InChIKeyZEABWNQQFVFFQW-UHFFFAOYSA-N
XLogP1.47
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-5-ol
CID 10475078
(6aR,9R,10aR)-6,6-dimethyl-3-(2-oxa-6-azatricyclo[3.3.1.13,7]decan-6-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
CID 16089262
3-(Benzyl(methyl)amino)-5-(3-(3-(dimethylamino)-5-hydroxyphenoxy)propoxy)phenol
CID 44578411
Benzyl-[3-hydroxy-5-[4-[3-hydroxy-5-(trimethylazaniumyl)phenoxy]butoxy]phenyl]-dimethylazanium diiodide
CID 44578512
1-(3,4-Dihydro-2H-1-benzopyran-4-yl)-4-(3-methoxyphenyl)piperazine
CID 3067666
(6aR,9S,10aR)-6,6-dimethyl-3-(2-oxa-6-azatricyclo[3.3.1.13,7]decan-6-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
CID 16089263
3-[4-[3-[Benzyl(methyl)amino]-5-hydroxyphenoxy]butoxy]-5-(dimethylamino)phenol
CID 44578412
3-[Benzyl(methyl)amino]-5-[3-[3-[benzyl(methyl)amino]-5-hydroxyphenoxy]propoxy]phenol
CID 44578413
6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol
CID 23442
7-(Diethylamino)-4-(hydroxymethyl)chromene-2-thione
CID 162418109
2-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-5-methoxyphenol
CID 783178
9H-Xanthen-9-ol, 1-((2-(diethylamino)ethyl)amino)-4-methyl-
CID 192783

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol (CID 153353464) is 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol is CN1CCN(c2cc(O)c3c(c2)OCCC3)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is ZEABWNQQFVFFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-4-6-16(7-5-15)11-9-13(17)12-3-2-8-18-14(12)10-11/h9-10,17H,2-8H2,1H3.
What are the key properties of 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol?
7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 248.33 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 153353464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).