3-piperidin-1-yl-1H-isoindole

C13H16N2 — CID 915259

IUPAC3-piperidin-1-yl-1H-isoindole
SMILESc1ccc2c(c1)CN=C2N1CCCCC1
InChIInChI=1S/C13H16N2/c1-4-8-15(9-5-1)13-12-7-3-2-6-11(12)10-14-13/h2-3,6-7H,1,4-5,8-10H2
InChIKeyKXPWAFJOKWNKSF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.43
Rot. Bonds

About 3-piperidin-1-yl-1H-isoindole

3-piperidin-1-yl-1H-isoindole (PubChem CID 915259) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-piperidin-1-yl-1H-isoindole.

Molecular Properties

Compound Name3-piperidin-1-yl-1H-isoindole
PubChem CID915259
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-piperidin-1-yl-1H-isoindole
SMILESc1ccc2c(c1)CN=C2N1CCCCC1
InChIInChI=1S/C13H16N2/c1-4-8-15(9-5-1)13-12-7-3-2-6-11(12)10-14-13/h2-3,6-7H,1,4-5,8-10H2
InChIKeyKXPWAFJOKWNKSF-UHFFFAOYSA-N
XLogP2.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-1H-isoindole hydrochloride
CID 2795203
1-Phenyl-1-(piperidin-1-yl)methanimine--hydrogen chloride (1/1)
CID 361542
1H-isoindol-3-amine
CID 427859
SDZ-62-434 free
CID 9801987
1H-Imidazole, 4,5-dihydro-2-(2-methylphenyl)-
CID 10057802
N-((4-Hexyl-1-piperazinyl)phenylmethylene)-2-methyl-1-propanamine
CID 40026
Iquindamine
CID 3015272
[3-(Diethylamino)isoindol-1-ylidene]-diethylazanium perchlorate
CID 9552001
5-(4-(Piperidin-1-ylmethyl)phenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline hydrochloride
CID 45488194
Diallyl-[4-(2,3-dihydro-imidazo[2,1-a]isoquinolin-5-yl)-benzyl]-amine
CID 10021121
2-(2-phenylphenyl)-4,5-dihydro-1H-imidazole
CID 11074976
1-Benzyl-2-phenyl-4,5-dihydroimidazole
CID 11207103

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1H-isoindole?
The IUPAC name of 3-piperidin-1-yl-1H-isoindole (CID 915259) is 3-piperidin-1-yl-1H-isoindole.
What is the SMILES notation for 3-piperidin-1-yl-1H-isoindole?
The canonical SMILES for 3-piperidin-1-yl-1H-isoindole is c1ccc2c(c1)CN=C2N1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-1H-isoindole?
The InChIKey is KXPWAFJOKWNKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-8-15(9-5-1)13-12-7-3-2-6-11(12)10-14-13/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 3-piperidin-1-yl-1H-isoindole?
3-piperidin-1-yl-1H-isoindole has a molecular weight of 200.28 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1H-isoindole is sourced from PubChem (CID 915259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).