2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole

C19H28N2 — CID 141171757

IUPAC2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole
SMILESCc1cc(CC2CCNCC2)cc2c1CN(CC1CC1)C2
InChIInChI=1S/C19H28N2/c1-14-8-17(9-15-4-6-20-7-5-15)10-18-12-21(13-19(14)18)11-16-2-3-16/h8,10,15-16,20H,2-7,9,11-13H2,1H3
InChIKeyPBKJOJGHTYFAPB-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.26
Rot. Bonds4

About 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole

2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole (PubChem CID 141171757) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole
PubChem CID141171757
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole
SMILESCc1cc(CC2CCNCC2)cc2c1CN(CC1CC1)C2
InChIInChI=1S/C19H28N2/c1-14-8-17(9-15-4-6-20-7-5-15)10-18-12-21(13-19(14)18)11-16-2-3-16/h8,10,15-16,20H,2-7,9,11-13H2,1H3
InChIKeyPBKJOJGHTYFAPB-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine
CID 84798985
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312
2-chloro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800082
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
5-(azepan-4-ylmethyl)-7-chloro-2-(cyclopropylmethyl)-3H-isoindol-1-one
CID 143187635
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
4-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422375
3-[(3-bromo-4-fluoro-5-methylphenyl)methyl]pyrrolidine
CID 84809637
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole (CID 141171757) is 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole is Cc1cc(CC2CCNCC2)cc2c1CN(CC1CC1)C2.
What is the InChIKey of 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole?
The InChIKey is PBKJOJGHTYFAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-14-8-17(9-15-4-6-20-7-5-15)10-18-12-21(13-19(14)18)11-16-2-3-16/h8,10,15-16,20H,2-7,9,11-13H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole?
2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole has a molecular weight of 284.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 141171757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).