6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine

C16H24N2O — CID 116837543

IUPAC6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc2c(c1)NC(C1CCN(C)CC1)CO2
InChIInChI=1S/C16H24N2O/c1-3-12-4-5-16-14(10-12)17-15(11-19-16)13-6-8-18(2)9-7-13/h4-5,10,13,15,17H,3,6-9,11H2,1-2H3
InChIKeyZJTUCHXNVDYZJA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.76
Rot. Bonds2

About 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine

6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837543) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837543
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc2c(c1)NC(C1CCN(C)CC1)CO2
InChIInChI=1S/C16H24N2O/c1-3-12-4-5-16-14(10-12)17-15(11-19-16)13-6-8-18(2)9-7-13/h4-5,10,13,15,17H,3,6-9,11H2,1-2H3
InChIKeyZJTUCHXNVDYZJA-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837716
3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 116837641
6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 82230354
6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 82186664
6-bromo-3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837282
8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825516
6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile
CID 84619871
3-cyclohexyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 116837602
4-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpiperidine
CID 178102409
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
CID 84620756
methyl 3-[3-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2-methylpropanoate
CID 170133981
2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 21460973

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116837543) is 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine is CCc1ccc2c(c1)NC(C1CCN(C)CC1)CO2.
What is the InChIKey of 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is ZJTUCHXNVDYZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-12-4-5-16-14(10-12)17-15(11-19-16)13-6-8-18(2)9-7-13/h4-5,10,13,15,17H,3,6-9,11H2,1-2H3.
What are the key properties of 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 260.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).