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

C18H28N2O2 — CID 82340294

IUPAC(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol
SMILESCCN1CC(C)(C)Oc2ccc(C(O)C3CCCCN3)cc21
InChIInChI=1S/C18H28N2O2/c1-4-20-12-18(2,3)22-16-9-8-13(11-15(16)20)17(21)14-7-5-6-10-19-14/h8-9,11,14,17,19,21H,4-7,10,12H2,1-3H3
InChIKeyHWLCCZZXFKBLPQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.86
Rot. Bonds3

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

(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol (PubChem CID 82340294) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol.

Molecular Properties

Compound Name(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol
PubChem CID82340294
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol
SMILESCCN1CC(C)(C)Oc2ccc(C(O)C3CCCCN3)cc21
InChIInChI=1S/C18H28N2O2/c1-4-20-12-18(2,3)22-16-9-8-13(11-15(16)20)17(21)14-7-5-6-10-19-14/h8-9,11,14,17,19,21H,4-7,10,12H2,1-3H3
InChIKeyHWLCCZZXFKBLPQ-UHFFFAOYSA-N
XLogP2.86
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[hydroxy(pyrrolidin-2-yl)methyl]-2,2-dimethyl-3H-1,4-benzoxazin-4-yl]ethanone
CID 82340629
4-ethyl-6-[hydroxy(pyrrolidin-2-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82339741
(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
CID 82340404
2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
CID 82340302
piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol
CID 82340267
2,4-diethyl-6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-benzoxazin-3-one
CID 82339706
3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 64867888
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
CID 82341357
azepan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 114556898
azepan-2-yl-(3-chloro-4-fluorophenyl)methanol
CID 81155319
cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 55061675
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol?
The IUPAC name of (4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol (CID 82340294) is (4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol.
What is the SMILES notation for (4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol?
The canonical SMILES for (4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol is CCN1CC(C)(C)Oc2ccc(C(O)C3CCCCN3)cc21.
What is the InChIKey of (4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol?
The InChIKey is HWLCCZZXFKBLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-20-12-18(2,3)22-16-9-8-13(11-15(16)20)17(21)14-7-5-6-10-19-14/h8-9,11,14,17,19,21H,4-7,10,12H2,1-3H3.
What are the key properties of (4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol?
(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol has a molecular weight of 304.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol is sourced from PubChem (CID 82340294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).