(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone

C12H22N2O2 — CID 129373940

IUPAC(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
SMILESCN1CCC[C@@H](C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C12H22N2O2/c1-13-6-2-3-10(9-13)12(16)14-7-4-11(15)5-8-14/h10-11,15H,2-9H2,1H3/t10-/m1/s1
InChIKeyDPMURLDOIPPJFN-SNVBAGLBSA-N
MW226.32 g/mol
LogP0.31
Rot. Bonds1

About (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone

(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone (PubChem CID 129373940) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
PubChem CID129373940
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
SMILESCN1CCC[C@@H](C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C12H22N2O2/c1-13-6-2-3-10(9-13)12(16)14-7-4-11(15)5-8-14/h10-11,15H,2-9H2,1H3/t10-/m1/s1
InChIKeyDPMURLDOIPPJFN-SNVBAGLBSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121184137
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
1-[3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 43419670
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 71799141
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900094

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone (CID 129373940) is (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone is CN1CCC[C@@H](C(=O)N2CCC(O)CC2)C1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone?
The InChIKey is DPMURLDOIPPJFN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-6-2-3-10(9-13)12(16)14-7-4-11(15)5-8-14/h10-11,15H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone?
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone is sourced from PubChem (CID 129373940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).