1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol

C15H23N3O — CID 124999609

IUPAC1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC[C@H]2c2cnccn2)CCCCC1
InChIInChI=1S/C15H23N3O/c19-15(6-2-1-3-7-15)12-18-10-4-5-14(18)13-11-16-8-9-17-13/h8-9,11,14,19H,1-7,10,12H2/t14-/m0/s1
InChIKeyRPZXYGIIZGFEHF-AWEZNQCLSA-N
MW261.37 g/mol
LogP2.31
Rot. Bonds3

About 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol

1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 124999609) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID124999609
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC[C@H]2c2cnccn2)CCCCC1
InChIInChI=1S/C15H23N3O/c19-15(6-2-1-3-7-15)12-18-10-4-5-14(18)13-11-16-8-9-17-13/h8-9,11,14,19H,1-7,10,12H2/t14-/m0/s1
InChIKeyRPZXYGIIZGFEHF-AWEZNQCLSA-N
XLogP2.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]ethanol
CID 95842061
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 110103097
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594
2-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]pyrazine
CID 124971747
1-[4-hydroxy-4-[[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 124995716
1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 110114145
2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124986406
2-[5-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-2-pyridinyl]benzoic acid
CID 124941885
2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124955216

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol (CID 124999609) is 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol is OC1(CN2CCC[C@H]2c2cnccn2)CCCCC1.
What is the InChIKey of 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is RPZXYGIIZGFEHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(6-2-1-3-7-15)12-18-10-4-5-14(18)13-11-16-8-9-17-13/h8-9,11,14,19H,1-7,10,12H2/t14-/m0/s1.
What are the key properties of 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol?
1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 124999609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).