(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol

C16H24N2O2 — CID 82340244

IUPAC(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol
SMILESCC1CN(C)c2cc(C(O)C3CCNCC3)ccc2O1
InChIInChI=1S/C16H24N2O2/c1-11-10-18(2)14-9-13(3-4-15(14)20-11)16(19)12-5-7-17-8-6-12/h3-4,9,11-12,16-17,19H,5-8,10H2,1-2H3
InChIKeyXSQTXUPBOMHHQZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds2

About (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol

(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol (PubChem CID 82340244) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol
PubChem CID82340244
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol
SMILESCC1CN(C)c2cc(C(O)C3CCNCC3)ccc2O1
InChIInChI=1S/C16H24N2O2/c1-11-10-18(2)14-9-13(3-4-15(14)20-11)16(19)12-5-7-17-8-6-12/h3-4,9,11-12,16-17,19H,5-8,10H2,1-2H3
InChIKeyXSQTXUPBOMHHQZ-UHFFFAOYSA-N
XLogP1.94
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol?
The IUPAC name of (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol (CID 82340244) is (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol.
What is the SMILES notation for (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol?
The canonical SMILES for (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol is CC1CN(C)c2cc(C(O)C3CCNCC3)ccc2O1.
What is the InChIKey of (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol?
The InChIKey is XSQTXUPBOMHHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-10-18(2)14-9-13(3-4-15(14)20-11)16(19)12-5-7-17-8-6-12/h3-4,9,11-12,16-17,19H,5-8,10H2,1-2H3.
What are the key properties of (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol?
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol has a molecular weight of 276.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol is sourced from PubChem (CID 82340244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).