8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine

C16H20N2O3 — CID 178076015

IUPAC8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESC1=COC(C2CCN(c3cccc4c3OCCN4)CC2)O1
InChIInChI=1S/C16H20N2O3/c1-2-13-15(19-9-6-17-13)14(3-1)18-7-4-12(5-8-18)16-20-10-11-21-16/h1-3,10-12,16-17H,4-9H2
InChIKeyFWVUYWCAUFWTPM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.55
Rot. Bonds2

About 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine

8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 178076015) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID178076015
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESC1=COC(C2CCN(c3cccc4c3OCCN4)CC2)O1
InChIInChI=1S/C16H20N2O3/c1-2-13-15(19-9-6-17-13)14(3-1)18-7-4-12(5-8-18)16-20-10-11-21-16/h1-3,10-12,16-17H,4-9H2
InChIKeyFWVUYWCAUFWTPM-UHFFFAOYSA-N
XLogP2.55
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-piperazin-1-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82232263
8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane
CID 177141875
tert-butyl (3R)-3-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)pyrrolidine-1-carboxylate
CID 170625506
8-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 135217965
potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide
CID 167725827
8-methyl-3,4-dihydro-2H-1,4-benzoxazine;propanoate
CID 86664801
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 154857351
8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 106587385
8-nitro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 46907963
8-[4-[4-[(2-ethyl-1,3-benzothiazol-5-yl)oxy]butyl]piperazin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 146025622
8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 83220695
3,4-dihydro-2H-1,4-benzoxazin-8-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114797522

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine (CID 178076015) is 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine is C1=COC(C2CCN(c3cccc4c3OCCN4)CC2)O1.
What is the InChIKey of 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is FWVUYWCAUFWTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-13-15(19-9-6-17-13)14(3-1)18-7-4-12(5-8-18)16-20-10-11-21-16/h1-3,10-12,16-17H,4-9H2.
What are the key properties of 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine?
8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 288.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 178076015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).