[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone

C11H20N2O2 — CID 129393876

IUPAC[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CC[C@H](CO)C1
InChIInChI=1S/C11H20N2O2/c14-8-9-4-6-13(7-9)11(15)10-3-1-2-5-12-10/h9-10,12,14H,1-8H2/t9-,10+/m0/s1
InChIKeyWLPRZARHHLFKRZ-VHSXEESVSA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds2

About [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone

[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 129393876) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID129393876
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CC[C@H](CO)C1
InChIInChI=1S/C11H20N2O2/c14-8-9-4-6-13(7-9)11(15)10-3-1-2-5-12-10/h9-10,12,14H,1-8H2/t9-,10+/m0/s1
InChIKeyWLPRZARHHLFKRZ-VHSXEESVSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone
CID 114424447
[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129496447
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119896732
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956
[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
CID 119337354
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 129393876) is [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CC[C@H](CO)C1.
What is the InChIKey of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is WLPRZARHHLFKRZ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-8-9-4-6-13(7-9)11(15)10-3-1-2-5-12-10/h9-10,12,14H,1-8H2/t9-,10+/m0/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 129393876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).