[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol

C12H18N2O — CID 129448824

IUPAC[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
SMILESC[C@H](c1ccccn1)N1CCC[C@H]1CO
InChIInChI=1S/C12H18N2O/c1-10(12-6-2-3-7-13-12)14-8-4-5-11(14)9-15/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3/t10-,11+/m1/s1
InChIKeyCRKTXBIAWCCNQD-MNOVXSKESA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds3

About [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol (PubChem CID 129448824) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
PubChem CID129448824
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
SMILESC[C@H](c1ccccn1)N1CCC[C@H]1CO
InChIInChI=1S/C12H18N2O/c1-10(12-6-2-3-7-13-12)14-8-4-5-11(14)9-15/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3/t10-,11+/m1/s1
InChIKeyCRKTXBIAWCCNQD-MNOVXSKESA-N
XLogP1.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
[(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol
CID 124762062
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
CID 79383099
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760
(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol
CID 86329912
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 43195854
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
N-ethyl-2-methyl-1-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 54976631
2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
CID 64935510
3-(1-pyridin-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490535

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol (CID 129448824) is [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol is C[C@H](c1ccccn1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol?
The InChIKey is CRKTXBIAWCCNQD-MNOVXSKESA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(12-6-2-3-7-13-12)14-8-4-5-11(14)9-15/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 129448824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).