[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C11H22N2O — CID 6931395

IUPAC[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCC[C@@H]1CN1CCC[C@H]1CO
InChIInChI=1S/C11H22N2O/c1-12-6-2-4-10(12)8-13-7-3-5-11(13)9-14/h10-11,14H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyVAUQXPBOGCJNHH-MNOVXSKESA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds3

About [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 6931395) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID6931395
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCC[C@@H]1CN1CCC[C@H]1CO
InChIInChI=1S/C11H22N2O/c1-12-6-2-4-10(12)8-13-7-3-5-11(13)9-14/h10-11,14H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyVAUQXPBOGCJNHH-MNOVXSKESA-N
XLogP0.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine
CID 127009301
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 61407709

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 6931395) is [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is CN1CCC[C@@H]1CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is VAUQXPBOGCJNHH-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-6-2-4-10(12)8-13-7-3-5-11(13)9-14/h10-11,14H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 6931395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).