6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]

C12H14ClNO2 — CID 115062790

IUPAC6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESClc1ccc2c(c1)COC1(CCNCC1)O2
InChIInChI=1S/C12H14ClNO2/c13-10-1-2-11-9(7-10)8-15-12(16-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyUPSOAKVCJDGWAW-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.33
Rot. Bonds

About 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]

6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 115062790) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID115062790
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESClc1ccc2c(c1)COC1(CCNCC1)O2
InChIInChI=1S/C12H14ClNO2/c13-10-1-2-11-9(7-10)8-15-12(16-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyUPSOAKVCJDGWAW-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
spiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10845905
7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10850583
N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide
CID 143841802
1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone
CID 126471832
5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84677333
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]
CID 115062771
7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine
CID 84621622
6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]
CID 10710133
1-(4-chlorophenyl)-3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)urea
CID 58199235
CID 164981926
CID 164981926

Frequently Asked Questions

What is the IUPAC name of 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 115062790) is 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine] is Clc1ccc2c(c1)COC1(CCNCC1)O2.
What is the InChIKey of 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is UPSOAKVCJDGWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-1-2-11-9(7-10)8-15-12(16-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2.
What are the key properties of 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]?
6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 239.70 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 115062790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).