2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]

C14H20N2 — CID 84723926

IUPAC2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]
SMILESCc1ccc2c(c1)CN(C)C21CCNCC1
InChIInChI=1S/C14H20N2/c1-11-3-4-13-12(9-11)10-16(2)14(13)5-7-15-8-6-14/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyKUQYYMGNWVVZQY-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.02
Rot. Bonds

About 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]

2,6-dimethylspiro[1H-isoindole-3,4'-piperidine] (PubChem CID 84723926) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine].

Molecular Properties

Compound Name2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]
PubChem CID84723926
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]
SMILESCc1ccc2c(c1)CN(C)C21CCNCC1
InChIInChI=1S/C14H20N2/c1-11-3-4-13-12(9-11)10-16(2)14(13)5-7-15-8-6-14/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyKUQYYMGNWVVZQY-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
CID 84721497
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 55264670
1,5-dimethylspiro[2H-indole-3,4'-piperidine]
CID 59466294
6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84662082
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012486
1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
CID 82289321
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285
7-methylspiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one
CID 170134760

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]?
The IUPAC name of 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine] (CID 84723926) is 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine].
What is the SMILES notation for 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]?
The canonical SMILES for 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine] is Cc1ccc2c(c1)CN(C)C21CCNCC1.
What is the InChIKey of 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]?
The InChIKey is KUQYYMGNWVVZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-3-4-13-12(9-11)10-16(2)14(13)5-7-15-8-6-14/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]?
2,6-dimethylspiro[1H-isoindole-3,4'-piperidine] has a molecular weight of 216.33 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylspiro[1H-isoindole-3,4'-piperidine] is sourced from PubChem (CID 84723926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).