4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine

C22H26N2O2 — CID 142698769

IUPAC4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine
SMILESCOc1ccc(C2CCN(CCN3C=COc4ccccc43)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-25-20-8-6-18(7-9-20)19-10-12-23(13-11-19)14-15-24-16-17-26-22-5-3-2-4-21(22)24/h2-9,16-17,19H,10-15H2,1H3
InChIKeyVFGCTBSTYVPWRB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.24
Rot. Bonds5

About 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine

4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine (PubChem CID 142698769) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine.

Molecular Properties

Compound Name4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine
PubChem CID142698769
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine
SMILESCOc1ccc(C2CCN(CCN3C=COc4ccccc43)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-25-20-8-6-18(7-9-20)19-10-12-23(13-11-19)14-15-24-16-17-26-22-5-3-2-4-21(22)24/h2-9,16-17,19H,10-15H2,1H3
InChIKeyVFGCTBSTYVPWRB-UHFFFAOYSA-N
XLogP4.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine?
The IUPAC name of 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine (CID 142698769) is 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine.
What is the SMILES notation for 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine?
The canonical SMILES for 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine is COc1ccc(C2CCN(CCN3C=COc4ccccc43)CC2)cc1.
What is the InChIKey of 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine?
The InChIKey is VFGCTBSTYVPWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-25-20-8-6-18(7-9-20)19-10-12-23(13-11-19)14-15-24-16-17-26-22-5-3-2-4-21(22)24/h2-9,16-17,19H,10-15H2,1H3.
What are the key properties of 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine?
4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine has a molecular weight of 350.46 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine is sourced from PubChem (CID 142698769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).