[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride

C12H22ClFN2O — CID 154910496

IUPAC[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H](C(=O)N2CCC(F)CC2)C1
InChIInChI=1S/C12H21FN2O.ClH/c13-10-4-6-15(7-5-10)12(16)9-2-1-3-11(14)8-9;/h9-11H,1-8,14H2;1H/t9-,11+;/m1./s1
InChIKeyOVWRWYIKNCNTDA-XQKZEKTMSA-N
MW264.77 g/mol
LogP1.89
Rot. Bonds1

About [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride

[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride (PubChem CID 154910496) has the molecular formula C12H22ClFN2O and a molecular weight of 264.77 g/mol. Its IUPAC name is [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
PubChem CID154910496
Molecular FormulaC12H22ClFN2O
Molecular Weight264.77 g/mol
Exact Mass264.14
IUPAC Name[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H](C(=O)N2CCC(F)CC2)C1
InChIInChI=1S/C12H21FN2O.ClH/c13-10-4-6-15(7-5-10)12(16)9-2-1-3-11(14)8-9;/h9-11H,1-8,14H2;1H/t9-,11+;/m1./s1
InChIKeyOVWRWYIKNCNTDA-XQKZEKTMSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
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)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119727809
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride (CID 154910496) is [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride is Cl.N[C@H]1CCC[C@@H](C(=O)N2CCC(F)CC2)C1.
What is the InChIKey of [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride?
The InChIKey is OVWRWYIKNCNTDA-XQKZEKTMSA-N. The full InChI is InChI=1S/C12H21FN2O.ClH/c13-10-4-6-15(7-5-10)12(16)9-2-1-3-11(14)8-9;/h9-11H,1-8,14H2;1H/t9-,11+;/m1./s1.
What are the key properties of [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride?
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride has a molecular weight of 264.77 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 154910496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).