3-piperidin-4-yl-5,6-dihydro-1H-isoindole

C13H18N2 — CID 58690582

IUPAC3-piperidin-4-yl-5,6-dihydro-1H-isoindole
SMILESC1=C2CN=C(C3CCNCC3)C2=CCC1
InChIInChI=1S/C13H18N2/c1-2-4-12-11(3-1)9-15-13(12)10-5-7-14-8-6-10/h3-4,10,14H,1-2,5-9H2
InChIKeyHSNJAYOMUATLFD-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.09
Rot. Bonds1

About 3-piperidin-4-yl-5,6-dihydro-1H-isoindole

3-piperidin-4-yl-5,6-dihydro-1H-isoindole (PubChem CID 58690582) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-piperidin-4-yl-5,6-dihydro-1H-isoindole.

Molecular Properties

Compound Name3-piperidin-4-yl-5,6-dihydro-1H-isoindole
PubChem CID58690582
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-piperidin-4-yl-5,6-dihydro-1H-isoindole
SMILESC1=C2CN=C(C3CCNCC3)C2=CCC1
InChIInChI=1S/C13H18N2/c1-2-4-12-11(3-1)9-15-13(12)10-5-7-14-8-6-10/h3-4,10,14H,1-2,5-9H2
InChIKeyHSNJAYOMUATLFD-UHFFFAOYSA-N
XLogP2.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro-1h-pyrido[4,3-b]indole
CID 56981217
Hexahydropyrroloisoquinoline
CID 67544643
4-(2-Ketobenzimidazolyl)piperidine
CID 69400164
8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 90852966
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 123527109
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-c]pyridine
CID 123653362
(4,6-Difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine
CID 142867709
Indole and spiropiperidine
CID 129819653
(3aR)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271931
(3aS)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271932
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene
CID 56606567

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5,6-dihydro-1H-isoindole?
The IUPAC name of 3-piperidin-4-yl-5,6-dihydro-1H-isoindole (CID 58690582) is 3-piperidin-4-yl-5,6-dihydro-1H-isoindole.
What is the SMILES notation for 3-piperidin-4-yl-5,6-dihydro-1H-isoindole?
The canonical SMILES for 3-piperidin-4-yl-5,6-dihydro-1H-isoindole is C1=C2CN=C(C3CCNCC3)C2=CCC1.
What is the InChIKey of 3-piperidin-4-yl-5,6-dihydro-1H-isoindole?
The InChIKey is HSNJAYOMUATLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-12-11(3-1)9-15-13(12)10-5-7-14-8-6-10/h3-4,10,14H,1-2,5-9H2.
What are the key properties of 3-piperidin-4-yl-5,6-dihydro-1H-isoindole?
3-piperidin-4-yl-5,6-dihydro-1H-isoindole has a molecular weight of 202.30 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5,6-dihydro-1H-isoindole is sourced from PubChem (CID 58690582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).