3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile

C12H20FN3 — CID 178011635

IUPAC3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile
SMILESCNC1CCN(C2CC(C)(C#N)C2)CC1F
InChIInChI=1S/C12H20FN3/c1-12(8-14)5-9(6-12)16-4-3-11(15-2)10(13)7-16/h9-11,15H,3-7H2,1-2H3
InChIKeyPMXVLZRPIPKSFL-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.31
Rot. Bonds2

About 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile

3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile (PubChem CID 178011635) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile
PubChem CID178011635
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile
SMILESCNC1CCN(C2CC(C)(C#N)C2)CC1F
InChIInChI=1S/C12H20FN3/c1-12(8-14)5-9(6-12)16-4-3-11(15-2)10(13)7-16/h9-11,15H,3-7H2,1-2H3
InChIKeyPMXVLZRPIPKSFL-UHFFFAOYSA-N
XLogP1.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 59888731
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
1-cycloheptyl-N-methylpyrrolidin-3-amine
CID 43315596
1-(3,3-dimethylcyclobutyl)-N-methylpiperidin-4-amine
CID 130865497
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625800
cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
CID 164886232
1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639086
1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
CID 115300022
ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine
CID 142347878
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625138
1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 166729909

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile (CID 178011635) is 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile is CNC1CCN(C2CC(C)(C#N)C2)CC1F.
What is the InChIKey of 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile?
The InChIKey is PMXVLZRPIPKSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-12(8-14)5-9(6-12)16-4-3-11(15-2)10(13)7-16/h9-11,15H,3-7H2,1-2H3.
What are the key properties of 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile?
3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile has a molecular weight of 225.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 178011635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).