azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride

C10H18ClFN2O — CID 130747930

IUPACazetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCN(C(=O)C2CNC2)CC1F.Cl
InChIInChI=1S/C10H17FN2O.ClH/c1-7-2-3-13(6-9(7)11)10(14)8-4-12-5-8;/h7-9,12H,2-6H2,1H3;1H
InChIKeyCXJMPJKRRKKGJN-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.83
Rot. Bonds1

About azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride

azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 130747930) has the molecular formula C10H18ClFN2O and a molecular weight of 236.72 g/mol. Its IUPAC name is azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Nameazetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID130747930
Molecular FormulaC10H18ClFN2O
Molecular Weight236.72 g/mol
Exact Mass236.11
IUPAC Nameazetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCN(C(=O)C2CNC2)CC1F.Cl
InChIInChI=1S/C10H17FN2O.ClH/c1-7-2-3-13(6-9(7)11)10(14)8-4-12-5-8;/h7-9,12H,2-6H2,1H3;1H
InChIKeyCXJMPJKRRKKGJN-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 129380965
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
azetidin-3-yl-(3-methylazetidin-1-yl)methanone
CID 164653902
2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 130635409
(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 164657914
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone
CID 177134769
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
CID 130804817
(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
CID 102961823
azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 129495393
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 103950474

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride (CID 130747930) is azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride is CC1CCN(C(=O)C2CNC2)CC1F.Cl.
What is the InChIKey of azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is CXJMPJKRRKKGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O.ClH/c1-7-2-3-13(6-9(7)11)10(14)8-4-12-5-8;/h7-9,12H,2-6H2,1H3;1H.
What are the key properties of azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride?
azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 130747930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).