8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine

C15H21FN2O — CID 120849021

IUPAC8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(CC2CCNCC2)c2cccc(F)c2O1
InChIInChI=1S/C15H21FN2O/c1-11-9-18(10-12-5-7-17-8-6-12)14-4-2-3-13(16)15(14)19-11/h2-4,11-12,17H,5-10H2,1H3
InChIKeyWHJQYBYPOHMHPW-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.41
Rot. Bonds2

About 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine

8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 120849021) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID120849021
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(CC2CCNCC2)c2cccc(F)c2O1
InChIInChI=1S/C15H21FN2O/c1-11-9-18(10-12-5-7-17-8-6-12)14-4-2-3-13(16)15(14)19-11/h2-4,11-12,17H,5-10H2,1H3
InChIKeyWHJQYBYPOHMHPW-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 126795372
4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 83523743
3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
CID 120849365
8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline
CID 119929966
9-fluoro-2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 82229787
1,4-dimethyl-5-(piperidin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine
CID 119932653
4-(2,6-difluorophenyl)-1-(piperidin-4-ylmethyl)piperidine
CID 120851603
8-fluoro-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 154744624
4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine
CID 119931942
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 124619369

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine (CID 120849021) is 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine is CC1CN(CC2CCNCC2)c2cccc(F)c2O1.
What is the InChIKey of 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is WHJQYBYPOHMHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-9-18(10-12-5-7-17-8-6-12)14-4-2-3-13(16)15(14)19-11/h2-4,11-12,17H,5-10H2,1H3.
What are the key properties of 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 264.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 120849021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).