2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride

C14H19ClN2O2 — CID 119293291

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCOc2ccccc21
InChIInChI=1S/C14H18N2O2.ClH/c17-14(11-5-7-15-8-6-11)16-9-10-18-13-4-2-1-3-12(13)16;/h1-4,11,15H,5-10H2;1H
InChIKeyNRMOZBZDROISIC-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.83
Rot. Bonds1

About 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride

2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride (PubChem CID 119293291) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
PubChem CID119293291
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCOc2ccccc21
InChIInChI=1S/C14H18N2O2.ClH/c17-14(11-5-7-15-8-6-11)16-9-10-18-13-4-2-1-3-12(13)16;/h1-4,11,15H,5-10H2;1H
InChIKeyNRMOZBZDROISIC-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 83762011
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone
CID 61260164
(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 130345290
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 82274959
azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 64563061
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-cyclopropylmethanone
CID 82285435
[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 98719085
2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119730672
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(3R)-pyrrolidin-3-yl]oxyethanone
CID 154868078
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 102892507

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride (CID 119293291) is 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride is Cl.O=C(C1CCNCC1)N1CCOc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride?
The InChIKey is NRMOZBZDROISIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c17-14(11-5-7-15-8-6-11)16-9-10-18-13-4-2-1-3-12(13)16;/h1-4,11,15H,5-10H2;1H.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride?
2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119293291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).