4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine

C13H25FN2 — CID 155034659

IUPAC4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine
SMILESCCC1(F)CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H25FN2/c1-4-13(14)9-16(10-13)12-5-7-15(8-6-12)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyZEZJFUGIBQLPJQ-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.29
Rot. Bonds3

About 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine

4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine (PubChem CID 155034659) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine
PubChem CID155034659
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine
SMILESCCC1(F)CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H25FN2/c1-4-13(14)9-16(10-13)12-5-7-15(8-6-12)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyZEZJFUGIBQLPJQ-UHFFFAOYSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Ethylazetidin-3-yl)-4-fluoropiperidine
CID 53889450
1-Tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine
CID 58364969
3-fluoro-N,1-dimethyl-N-propan-2-ylpiperidin-4-amine
CID 59289502
3-fluoro-1-methyl-N,N-di(propan-2-yl)piperidin-4-amine
CID 59289547
N-ethyl-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 59289594
3-fluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine
CID 59603419
4-(Azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine
CID 59603510
(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
CID 59670831
3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
CID 66767472
3-fluoro-N,N,1-trimethylpiperidin-4-amine
CID 66767698
1-ethyl-3-fluoro-N,N-dimethylpiperidin-4-amine
CID 68098149
1-Ethyl-4-(3-fluoroazetidin-1-yl)piperidine
CID 68275050

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine (CID 155034659) is 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine is CCC1(F)CN(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine?
The InChIKey is ZEZJFUGIBQLPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-4-13(14)9-16(10-13)12-5-7-15(8-6-12)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine?
4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine has a molecular weight of 228.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 155034659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).