1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine

C12H22FN3 — CID 166940552

IUPAC1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine
SMILESFC1CCCN(C2CN(CC3CNC3)C2)C1
InChIInChI=1S/C12H22FN3/c13-11-2-1-3-16(7-11)12-8-15(9-12)6-10-4-14-5-10/h10-12,14H,1-9H2
InChIKeyFSXYZWSIFUOTCP-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.32
Rot. Bonds3

About 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine

1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine (PubChem CID 166940552) has the molecular formula C12H22FN3 and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine.

Molecular Properties

Compound Name1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine
PubChem CID166940552
Molecular FormulaC12H22FN3
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Name1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine
SMILESFC1CCCN(C2CN(CC3CNC3)C2)C1
InChIInChI=1S/C12H22FN3/c13-11-2-1-3-16(7-11)12-8-15(9-12)6-10-4-14-5-10/h10-12,14H,1-9H2
InChIKeyFSXYZWSIFUOTCP-UHFFFAOYSA-N
XLogP0.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
CID 166507837
1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
CID 170022732
1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane
CID 157039213
1-(cyclopropylmethyl)-3-fluoroazetidine
CID 131037044
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
(3R)-3-fluoro-1-[(3R)-pyrrolidin-3-yl]pyrrolidine
CID 123801456
potassium 3-fluoro-1-(piperidin-1-id-4-ylmethyl)piperidine
CID 176562157
1-(azetidin-3-yl)-4-(cyclobutylmethyl)piperazine
CID 66203334
1-(azetidin-3-yl)-4-(cyclopentylmethyl)piperazine
CID 66201359
2-(cyclopentylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038048
(3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine
CID 176841895
1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane
CID 87765664

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine?
The IUPAC name of 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine (CID 166940552) is 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine.
What is the SMILES notation for 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine?
The canonical SMILES for 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine is FC1CCCN(C2CN(CC3CNC3)C2)C1.
What is the InChIKey of 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine?
The InChIKey is FSXYZWSIFUOTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3/c13-11-2-1-3-16(7-11)12-8-15(9-12)6-10-4-14-5-10/h10-12,14H,1-9H2.
What are the key properties of 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine?
1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine has a molecular weight of 227.33 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine is sourced from PubChem (CID 166940552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).