5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole

C16H25N3 — CID 103997998

IUPAC5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
SMILESCCCN1CCN(Cc2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C16H25N3/c1-2-5-18-6-8-19(9-7-18)13-14-3-4-15-11-17-12-16(15)10-14/h3-4,10,17H,2,5-9,11-13H2,1H3
InChIKeyMXIQSHSVCANRCT-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.82
Rot. Bonds4

About 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole

5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 103997998) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
PubChem CID103997998
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
SMILESCCCN1CCN(Cc2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C16H25N3/c1-2-5-18-6-8-19(9-7-18)13-14-3-4-15-11-17-12-16(15)10-14/h3-4,10,17H,2,5-9,11-13H2,1H3
InChIKeyMXIQSHSVCANRCT-UHFFFAOYSA-N
XLogP1.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 103998261
CID 159268606
CID 159268606
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
CID 103998282
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103534857
5-[(4-tert-butylazepan-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103998331
2-bromo-5-[(4-propylpiperazin-1-yl)methyl]aniline
CID 115556962
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 103998358
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 103998278

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole (CID 103997998) is 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole is CCCN1CCN(Cc2ccc3c(c2)CNC3)CC1.
What is the InChIKey of 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is MXIQSHSVCANRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-5-18-6-8-19(9-7-18)13-14-3-4-15-11-17-12-16(15)10-14/h3-4,10,17H,2,5-9,11-13H2,1H3.
What are the key properties of 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole?
5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 259.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 103997998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).