1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole

C13H24N2 — CID 82750918

IUPAC1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESC1CCC2C(C1)CCN2C1CCNCC1
InChIInChI=1S/C13H24N2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12/h11-14H,1-10H2
InChIKeyRCSAJHKMEBSVPM-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.00
Rot. Bonds1

About 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole

1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 82750918) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID82750918
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESC1CCC2C(C1)CCN2C1CCNCC1
InChIInChI=1S/C13H24N2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12/h11-14H,1-10H2
InChIKeyRCSAJHKMEBSVPM-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole (CID 82750918) is 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole is C1CCC2C(C1)CCN2C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is RCSAJHKMEBSVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12/h11-14H,1-10H2.
What are the key properties of 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole?
1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 208.35 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 82750918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).