(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride

C11H22ClN3 — CID 131204117

IUPAC(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
SMILESC1CNCC(N2C[C@H]3CNC[C@H]3C2)C1.Cl
InChIInChI=1S/C11H21N3.ClH/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14;/h9-13H,1-8H2;1H/t9-,10+,11?;
InChIKeyLYDMYRDENBMSQO-DIVWUKMWSA-N
MW231.77 g/mol
LogP0.31
Rot. Bonds1

About (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride

(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride (PubChem CID 131204117) has the molecular formula C11H22ClN3 and a molecular weight of 231.77 g/mol. Its IUPAC name is (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride.

Molecular Properties

Compound Name(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
PubChem CID131204117
Molecular FormulaC11H22ClN3
Molecular Weight231.77 g/mol
Exact Mass231.15
IUPAC Name(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
SMILESC1CNCC(N2C[C@H]3CNC[C@H]3C2)C1.Cl
InChIInChI=1S/C11H21N3.ClH/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14;/h9-13H,1-8H2;1H/t9-,10+,11?;
InChIKeyLYDMYRDENBMSQO-DIVWUKMWSA-N
XLogP0.31
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride with MolForge

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Related Compounds

5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213126
3-(3-methylazetidin-1-yl)piperidine
CID 79677319
3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
CID 103533918
5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166934569
5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 130578140
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121
4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol
CID 130647241
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
CID 71607215
1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine
CID 174829694
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
2-piperidin-3-yl-2-azaspiro[3.3]heptane
CID 79677674

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride?
The IUPAC name of (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride (CID 131204117) is (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride.
What is the SMILES notation for (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride?
The canonical SMILES for (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride is C1CNCC(N2C[C@H]3CNC[C@H]3C2)C1.Cl.
What is the InChIKey of (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride?
The InChIKey is LYDMYRDENBMSQO-DIVWUKMWSA-N. The full InChI is InChI=1S/C11H21N3.ClH/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14;/h9-13H,1-8H2;1H/t9-,10+,11?;.
What are the key properties of (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride?
(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride is sourced from PubChem (CID 131204117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).