5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C12H23N3 — CID 146558610

IUPAC5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC1CC(CN2CC3CNCC3C2)CCN1
InChIInChI=1S/C12H23N3/c1-3-13-4-2-10(1)7-15-8-11-5-14-6-12(11)9-15/h10-14H,1-9H2
InChIKeyKGZNOWLYRSPSGH-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.14
Rot. Bonds2

About 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 146558610) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID146558610
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC1CC(CN2CC3CNCC3C2)CCN1
InChIInChI=1S/C12H23N3/c1-3-13-4-2-10(1)7-15-8-11-5-14-6-12(11)9-15/h10-14H,1-9H2
InChIKeyKGZNOWLYRSPSGH-UHFFFAOYSA-N
XLogP0.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aR,6aS)-5-[(4-methylcyclohexyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660980
(3aS,7aS)-5-(cyclopropylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 124910290
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
CID 120849683
5-(thiolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107133199
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
CID 103533927
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
(1R,5S)-6-ethoxy-3-(piperidin-4-ylmethyl)-3-azabicyclo[3.1.0]hexane
CID 176695256
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine
CID 166490165

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 146558610) is 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is C1CC(CN2CC3CNCC3C2)CCN1.
What is the InChIKey of 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is KGZNOWLYRSPSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-13-4-2-10(1)7-15-8-11-5-14-6-12(11)9-15/h10-14H,1-9H2.
What are the key properties of 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 209.34 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 146558610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).