6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride

C13H17ClN2O2 — CID 52983604

IUPAC6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
SMILESCOc1ccc2c(C3CCNCC3)noc2c1.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-16-10-2-3-11-12(8-10)17-15-13(11)9-4-6-14-7-5-9;/h2-3,8-9,14H,4-7H2,1H3;1H
InChIKeyFJDNMFKHBSBNDU-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.73
Rot. Bonds2

About 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride

6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride (PubChem CID 52983604) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride.

Molecular Properties

Compound Name6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
PubChem CID52983604
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
SMILESCOc1ccc2c(C3CCNCC3)noc2c1.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-16-10-2-3-11-12(8-10)17-15-13(11)9-4-6-14-7-5-9;/h2-3,8-9,14H,4-7H2,1H3;1H
InChIKeyFJDNMFKHBSBNDU-UHFFFAOYSA-N
XLogP2.73
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 13076437
acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
CID 158743343
6-fluoro-3-(1-methylpiperidin-4-yl)-1,2-benzoxazole;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;methane;hydrochloride
CID 159928028
5-chloro-3-piperidin-4-yl-1,2-benzoxazole
CID 21471782
3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride
CID 82021834
4-(azepan-4-yl)-7-methoxyquinazoline
CID 162748452
4-(5-methoxy-1-benzofuran-2-yl)piperidine;hydrochloride
CID 23312240
5-(4-methoxyphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015385
(3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate
CID 23117134
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
6-fluoro-3-[1-[2-(7-methoxynaphthalen-2-yl)oxyethyl]piperidin-4-yl]-1,2-benzoxazole
CID 70244236
3-[1-[3-(2,5-dimethoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 18467222

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
The IUPAC name of 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride (CID 52983604) is 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride.
What is the SMILES notation for 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
The canonical SMILES for 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride is COc1ccc2c(C3CCNCC3)noc2c1.Cl.
What is the InChIKey of 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
The InChIKey is FJDNMFKHBSBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.ClH/c1-16-10-2-3-11-12(8-10)17-15-13(11)9-4-6-14-7-5-9;/h2-3,8-9,14H,4-7H2,1H3;1H.
What are the key properties of 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride is sourced from PubChem (CID 52983604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).