[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone

C12H22N2O2 — CID 59401514

IUPAC[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESN[C@H]1CCC[C@@H](C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C12H22N2O2/c13-10-3-1-2-9(8-10)12(16)14-6-4-11(15)5-7-14/h9-11,15H,1-8,13H2/t9-,10+/m1/s1
InChIKeyCJQPUOUSLSDNEG-ZJUUUORDSA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds1

About [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone

[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 59401514) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID59401514
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESN[C@H]1CCC[C@@H](C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C12H22N2O2/c13-10-3-1-2-9(8-10)12(16)14-6-4-11(15)5-7-14/h9-11,15H,1-8,13H2/t9-,10+/m1/s1
InChIKeyCJQPUOUSLSDNEG-ZJUUUORDSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
CID 55147306
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone (CID 59401514) is [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone is N[C@H]1CCC[C@@H](C(=O)N2CCC(O)CC2)C1.
What is the InChIKey of [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is CJQPUOUSLSDNEG-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-10-3-1-2-9(8-10)12(16)14-6-4-11(15)5-7-14/h9-11,15H,1-8,13H2/t9-,10+/m1/s1.
What are the key properties of [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone?
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 59401514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).