[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol

C13H18N2O — CID 115561195

IUPAC[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol
SMILESOCc1cccnc1N1CC2CCCC2C1
InChIInChI=1S/C13H18N2O/c16-9-12-5-2-6-14-13(12)15-7-10-3-1-4-11(10)8-15/h2,5-6,10-11,16H,1,3-4,7-9H2
InChIKeyJRZKYFXFJRABKB-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.81
Rot. Bonds2

About [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol

[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol (PubChem CID 115561195) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol
PubChem CID115561195
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol
SMILESOCc1cccnc1N1CC2CCCC2C1
InChIInChI=1S/C13H18N2O/c16-9-12-5-2-6-14-13(12)15-7-10-3-1-4-11(10)8-15/h2,5-6,10-11,16H,1,3-4,7-9H2
InChIKeyJRZKYFXFJRABKB-UHFFFAOYSA-N
XLogP1.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115562080
[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256468
[2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61421598
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanol
CID 61257905
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methanol
CID 61254368
1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106667702
[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol
CID 114083554
[2-(2-ethylmorpholin-4-yl)-3-pyridinyl]methanol
CID 55031188
[2-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 61254159
4-hydroxy-1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168703715
[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine
CID 117045416

Frequently Asked Questions

What is the IUPAC name of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol (CID 115561195) is [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol is OCc1cccnc1N1CC2CCCC2C1.
What is the InChIKey of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol?
The InChIKey is JRZKYFXFJRABKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-9-12-5-2-6-14-13(12)15-7-10-3-1-4-11(10)8-15/h2,5-6,10-11,16H,1,3-4,7-9H2.
What are the key properties of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol?
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol has a molecular weight of 218.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 115561195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).