2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole

C15H22N2 — CID 104595002

IUPAC2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole
SMILESCC1(CN2Cc3ccccc3C2)CCCCN1
InChIInChI=1S/C15H22N2/c1-15(8-4-5-9-16-15)12-17-10-13-6-2-3-7-14(13)11-17/h2-3,6-7,16H,4-5,8-12H2,1H3
InChIKeyABVSXYXQQXDRIU-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.53
Rot. Bonds2

About 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole

2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole (PubChem CID 104595002) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole
PubChem CID104595002
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole
SMILESCC1(CN2Cc3ccccc3C2)CCCCN1
InChIInChI=1S/C15H22N2/c1-15(8-4-5-9-16-15)12-17-10-13-6-2-3-7-14(13)11-17/h2-3,6-7,16H,4-5,8-12H2,1H3
InChIKeyABVSXYXQQXDRIU-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 104595146
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole
CID 106976381
8-[(2-methylpiperidin-2-yl)methyl]-8-azaspiro[4.5]decane
CID 113430623
1-methyl-4-[(2-methylpiperidin-2-yl)methyl]-1,4-diazepane
CID 104594729
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylazepane
CID 79118343
4-[(2-methylpiperidin-2-yl)methyl]morpholine
CID 104594654
2-methyl-2-(2-phenylethyl)azepane
CID 79118526
1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 114410563
2-[(2-chlorophenyl)methyl]-2-methylazepane
CID 79119375
2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143296
2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 130706522

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole (CID 104595002) is 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole is CC1(CN2Cc3ccccc3C2)CCCCN1.
What is the InChIKey of 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole?
The InChIKey is ABVSXYXQQXDRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(8-4-5-9-16-15)12-17-10-13-6-2-3-7-14(13)11-17/h2-3,6-7,16H,4-5,8-12H2,1H3.
What are the key properties of 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole?
2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole has a molecular weight of 230.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 104595002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).