(6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate

C14H15ClN2O3 — CID 12001416

IUPAC(6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2noc3cc(Cl)ccc23)CC1
InChIInChI=1S/C14H15ClN2O3/c1-9-4-6-17(7-5-9)14(18)19-13-11-3-2-10(15)8-12(11)20-16-13/h2-3,8-9H,4-7H2,1H3
InChIKeyRZXFNVAKZVSBDJ-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.71
Rot. Bonds1

About (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate

(6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate (PubChem CID 12001416) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate
PubChem CID12001416
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name(6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2noc3cc(Cl)ccc23)CC1
InChIInChI=1S/C14H15ClN2O3/c1-9-4-6-17(7-5-9)14(18)19-13-11-3-2-10(15)8-12(11)20-16-13/h2-3,8-9H,4-7H2,1H3
InChIKeyRZXFNVAKZVSBDJ-UHFFFAOYSA-N
XLogP3.71
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate?
The IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate (CID 12001416) is (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate?
The canonical SMILES for (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)Oc2noc3cc(Cl)ccc23)CC1.
What is the InChIKey of (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate?
The InChIKey is RZXFNVAKZVSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9-4-6-17(7-5-9)14(18)19-13-11-3-2-10(15)8-12(11)20-16-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate?
(6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate has a molecular weight of 294.74 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,2-benzoxazol-3-yl) 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 12001416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).