(4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C14H26N2 — CID 102726527

IUPAC(4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESC1CNCC(N2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C14H26N2/c1-2-8-14-12(5-1)6-4-10-16(14)13-7-3-9-15-11-13/h12-15H,1-11H2/t12-,13?,14-/m1/s1
InChIKeyHBTGAYJPEGRVRI-WYAMFQBQSA-N
MW222.38 g/mol
LogP2.39
Rot. Bonds1

About (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

(4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 102726527) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name(4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID102726527
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESC1CNCC(N2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C14H26N2/c1-2-8-14-12(5-1)6-4-10-16(14)13-7-3-9-15-11-13/h12-15H,1-11H2/t12-,13?,14-/m1/s1
InChIKeyHBTGAYJPEGRVRI-WYAMFQBQSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 102726527) is (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is C1CNCC(N2CCC[C@H]3CCCC[C@H]32)C1.
What is the InChIKey of (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is HBTGAYJPEGRVRI-WYAMFQBQSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-8-14-12(5-1)6-4-10-16(14)13-7-3-9-15-11-13/h12-15H,1-11H2/t12-,13?,14-/m1/s1.
What are the key properties of (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
(4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 222.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 102726527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).