8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine

C17H26N2O2 — CID 82070749

IUPAC8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1cc(CCCN2CCCCC2)cc2c1OCCN2
InChIInChI=1S/C17H26N2O2/c1-20-16-13-14(12-15-17(16)21-11-7-18-15)6-5-10-19-8-3-2-4-9-19/h12-13,18H,2-11H2,1H3
InChIKeyHGFKOXXHJPSBBO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.92
Rot. Bonds5

About 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine

8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82070749) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82070749
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1cc(CCCN2CCCCC2)cc2c1OCCN2
InChIInChI=1S/C17H26N2O2/c1-20-16-13-14(12-15-17(16)21-11-7-18-15)6-5-10-19-8-3-2-4-9-19/h12-13,18H,2-11H2,1H3
InChIKeyHGFKOXXHJPSBBO-UHFFFAOYSA-N
XLogP2.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[5-(3,4,5-trimethoxyphenyl)pentyl]-1,4-diazepane
CID 15227840
N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine
CID 82071623
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol
CID 144811327
1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine
CID 144811313
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
7-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-5-ol
CID 70919242
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
CID 11978505
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 82070749) is 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine is COc1cc(CCCN2CCCCC2)cc2c1OCCN2.
What is the InChIKey of 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is HGFKOXXHJPSBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-16-13-14(12-15-17(16)21-11-7-18-15)6-5-10-19-8-3-2-4-9-19/h12-13,18H,2-11H2,1H3.
What are the key properties of 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine?
8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 290.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82070749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).