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

C12H22N2O2 — CID 104912769

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCCC(CO)C1
InChIInChI=1S/C12H22N2O2/c15-9-10-4-3-7-14(8-10)12(16)11-5-1-2-6-13-11/h10-11,13,15H,1-9H2/t10?,11-/m1/s1
InChIKeyMTHBCEPULQLQCR-RRKGBCIJSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds2

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

[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 104912769) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID104912769
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCCC(CO)C1
InChIInChI=1S/C12H22N2O2/c15-9-10-4-3-7-14(8-10)12(16)11-5-1-2-6-13-11/h10-11,13,15H,1-9H2/t10?,11-/m1/s1
InChIKeyMTHBCEPULQLQCR-RRKGBCIJSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
CID 119337354
[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288828
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129496447
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(2R)-piperidin-2-yl]methanone
CID 104913916
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081454
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 104912769) is [3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is MTHBCEPULQLQCR-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-9-10-4-3-7-14(8-10)12(16)11-5-1-2-6-13-11/h10-11,13,15H,1-9H2/t10?,11-/m1/s1.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 104912769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).