3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole

C21H23FN2O2 — CID 22068435

IUPAC3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole
SMILESFc1ccc2c(OCCC3CCN(Cc4ccccc4)CC3)noc2c1
InChIInChI=1S/C21H23FN2O2/c22-18-6-7-19-20(14-18)26-23-21(19)25-13-10-16-8-11-24(12-9-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2
InChIKeyPZCFBSQDAFFFMO-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.65
Rot. Bonds6

About 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole

3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole (PubChem CID 22068435) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole.

Molecular Properties

Compound Name3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole
PubChem CID22068435
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole
SMILESFc1ccc2c(OCCC3CCN(Cc4ccccc4)CC3)noc2c1
InChIInChI=1S/C21H23FN2O2/c22-18-6-7-19-20(14-18)26-23-21(19)25-13-10-16-8-11-24(12-9-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2
InChIKeyPZCFBSQDAFFFMO-UHFFFAOYSA-N
XLogP4.65
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethoxy]-1,2-benzoxazole
CID 22068303
3-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-phenylmethoxy-1,2-benzoxazole
CID 22068200
3-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-1,2-benzoxazol-6-amine
CID 22068181
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole
CID 22068269
6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine
CID 90197963
3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-piperidin-1-yl-1,2-benzoxazole
CID 18377514
5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole
CID 67845365
3-[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propyl]-6-phenylmethoxy-1,2-benzoxazole
CID 22068220
6-fluoro-3-[1-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,2-benzoxazole
CID 164617893
2-[[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindol-1-ol;hydrochloride
CID 174444404

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole?
The IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole (CID 22068435) is 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole.
What is the SMILES notation for 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole?
The canonical SMILES for 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole is Fc1ccc2c(OCCC3CCN(Cc4ccccc4)CC3)noc2c1.
What is the InChIKey of 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole?
The InChIKey is PZCFBSQDAFFFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-6-7-19-20(14-18)26-23-21(19)25-13-10-16-8-11-24(12-9-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2.
What are the key properties of 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole?
3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole has a molecular weight of 354.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole is sourced from PubChem (CID 22068435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).