3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine

C12H23N3 — CID 176569160

IUPAC3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1CNC2NCC([C@H]3CCCNC3)C2C1
InChIInChI=1S/C12H23N3/c1-3-9(7-13-5-1)11-8-15-12-10(11)4-2-6-14-12/h9-15H,1-8H2/t9-,10?,11?,12?/m0/s1
InChIKeyYADINBPHDQUNPF-ZLMIFYAYSA-N
MW209.34 g/mol
LogP0.53
Rot. Bonds1

About 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine

3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 176569160) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID176569160
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1CNC2NCC([C@H]3CCCNC3)C2C1
InChIInChI=1S/C12H23N3/c1-3-9(7-13-5-1)11-8-15-12-10(11)4-2-6-14-12/h9-15H,1-8H2/t9-,10?,11?,12?/m0/s1
InChIKeyYADINBPHDQUNPF-ZLMIFYAYSA-N
XLogP0.53
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-imidazolidin-2-ylpiperidine
CID 175384485
[(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol
CID 176569123
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[3,2-c]azepine
CID 82416494
(3R)-3-[(2R)-pyrrolidin-2-yl]piperidine
CID 40566318
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine
CID 138554774
(3S)-3-cyclohexylpiperidine
CID 7016473
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
CID 154791283
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-pyrido[2,3-b]indole
CID 69300144
1-methyl-4-piperidin-3-ylcyclohexan-1-ol
CID 84733509
3,4-di(cyclooctyl)piperidine
CID 54064226
3-(fluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 84718322

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine (CID 176569160) is 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine is C1CNC2NCC([C@H]3CCCNC3)C2C1.
What is the InChIKey of 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YADINBPHDQUNPF-ZLMIFYAYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-9(7-13-5-1)11-8-15-12-10(11)4-2-6-14-12/h9-15H,1-8H2/t9-,10?,11?,12?/m0/s1.
What are the key properties of 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine?
3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 209.34 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 176569160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).