6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine

C17H26N2O — CID 82340146

IUPAC6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)N1CCOc2ccc(CC3CCCNC3)cc21
InChIInChI=1S/C17H26N2O/c1-13(2)19-8-9-20-17-6-5-14(11-16(17)19)10-15-4-3-7-18-12-15/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyFQWNALBAYKIACM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.84
Rot. Bonds3

About 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine

6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 82340146) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID82340146
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)N1CCOc2ccc(CC3CCCNC3)cc21
InChIInChI=1S/C17H26N2O/c1-13(2)19-8-9-20-17-6-5-14(11-16(17)19)10-15-4-3-7-18-12-15/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyFQWNALBAYKIACM-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 117368648
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
4-methyl-6-(piperidin-3-ylmethyl)-3H-1,4-benzoxazin-2-one;hydrochloride
CID 68949647
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine
CID 82340228
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine
CID 117446569
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
2-methyl-1-[6-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260294
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine (CID 82340146) is 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine is CC(C)N1CCOc2ccc(CC3CCCNC3)cc21.
What is the InChIKey of 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is FQWNALBAYKIACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19-8-9-20-17-6-5-14(11-16(17)19)10-15-4-3-7-18-12-15/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine?
6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 274.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 82340146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).