5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride

C14H19ClN2O2 — CID 70097971

IUPAC5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride
SMILESCc1cccc2c1COC(=O)N2C1CCNCC1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-10-3-2-4-13-12(10)9-18-14(17)16(13)11-5-7-15-8-6-11;/h2-4,11,15H,5-9H2,1H3;1H
InChIKeyYNDJHNDTGSATQB-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.63
Rot. Bonds1

About 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride

5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride (PubChem CID 70097971) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride
PubChem CID70097971
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride
SMILESCc1cccc2c1COC(=O)N2C1CCNCC1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-10-3-2-4-13-12(10)9-18-14(17)16(13)11-5-7-15-8-6-11;/h2-4,11,15H,5-9H2,1H3;1H
InChIKeyYNDJHNDTGSATQB-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride?
The IUPAC name of 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride (CID 70097971) is 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride is Cc1cccc2c1COC(=O)N2C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride?
The InChIKey is YNDJHNDTGSATQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-10-3-2-4-13-12(10)9-18-14(17)16(13)11-5-7-15-8-6-11;/h2-4,11,15H,5-9H2,1H3;1H.
What are the key properties of 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride?
5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride is sourced from PubChem (CID 70097971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).