3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine

C11H21FN2 — CID 115022061

IUPAC3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine
SMILESCN1CCC(C2(N)CC(C)(F)C2)CC1
InChIInChI=1S/C11H21FN2/c1-10(12)7-11(13,8-10)9-3-5-14(2)6-4-9/h9H,3-8,13H2,1-2H3
InChIKeyIVLSKDQOQUAXDY-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.55
Rot. Bonds1

About 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine

3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine (PubChem CID 115022061) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine
PubChem CID115022061
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine
SMILESCN1CCC(C2(N)CC(C)(F)C2)CC1
InChIInChI=1S/C11H21FN2/c1-10(12)7-11(13,8-10)9-3-5-14(2)6-4-9/h9H,3-8,13H2,1-2H3
InChIKeyIVLSKDQOQUAXDY-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,2,6,6-Pentamethylpiperidin-4-yl)ethanamine
CID 4005925
2-[(2R,4R)-2-fluoro-4-methylcyclobutyl]-1-methylpiperidine
CID 135173517
3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine
CID 159043159
N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-2-methylpropan-2-amine
CID 162424269
1-(1-Tert-butyl-4-fluoropiperidin-4-yl)-2-methylpropan-2-amine
CID 168747686
2-(2-Fluoropropan-2-yl)-1,3,5-trimethylpiperidin-4-amine
CID 176942465
4-Fluoro-4-(3-methylcyclobutyl)piperidine
CID 177775234
1-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
CID 79843616
3-Fluoro-3-(1-methylpiperidin-3-yl)propan-1-amine
CID 83856329
3-Cyclobutyl-4-fluoro-4-methylpiperidine
CID 84717415
4-(2-Fluoropropan-2-yl)-1-methylpiperidin-4-amine
CID 84766723
1-Fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine
CID 105435885

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine (CID 115022061) is 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine is CN1CCC(C2(N)CC(C)(F)C2)CC1.
What is the InChIKey of 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine?
The InChIKey is IVLSKDQOQUAXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-10(12)7-11(13,8-10)9-3-5-14(2)6-4-9/h9H,3-8,13H2,1-2H3.
What are the key properties of 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine?
3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine has a molecular weight of 200.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(1-methylpiperidin-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 115022061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).