6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]

C13H18N2 — CID 84721497

IUPAC6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
SMILESCc1ccc2c(c1)CNC21CCNCC1
InChIInChI=1S/C13H18N2/c1-10-2-3-12-11(8-10)9-15-13(12)4-6-14-7-5-13/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyJEMKDVBSMKFZDD-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.68
Rot. Bonds

About 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]

6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine] (PubChem CID 84721497) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine].

Molecular Properties

Compound Name6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
PubChem CID84721497
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
SMILESCc1ccc2c(c1)CNC21CCNCC1
InChIInChI=1S/C13H18N2/c1-10-2-3-12-11(8-10)9-15-13(12)4-6-14-7-5-13/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyJEMKDVBSMKFZDD-UHFFFAOYSA-N
XLogP1.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012486
2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]
CID 84723926
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 55264670
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84662082
7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
CID 104696992
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
3-(2-chloro-4-methylphenyl)pyrrolidin-3-ol
CID 117103965
1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
CID 82289321
6-methyl-1,2,3,4-tetrahydrophthalazine
CID 142250671

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]?
The IUPAC name of 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine] (CID 84721497) is 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine].
What is the SMILES notation for 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]?
The canonical SMILES for 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine] is Cc1ccc2c(c1)CNC21CCNCC1.
What is the InChIKey of 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]?
The InChIKey is JEMKDVBSMKFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-2-3-12-11(8-10)9-15-13(12)4-6-14-7-5-13/h2-3,8,14-15H,4-7,9H2,1H3.
What are the key properties of 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]?
6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine] has a molecular weight of 202.30 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine] is sourced from PubChem (CID 84721497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).