4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine

C14H27FN2 — CID 166536676

IUPAC4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine
SMILESCCC1CN(CC2(F)CCN(C(C)C)CC2)C1
InChIInChI=1S/C14H27FN2/c1-4-13-9-16(10-13)11-14(15)5-7-17(8-6-14)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyLHXYPRONFOLYHK-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.54
Rot. Bonds4

About 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine

4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine (PubChem CID 166536676) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine
PubChem CID166536676
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine
SMILESCCC1CN(CC2(F)CCN(C(C)C)CC2)C1
InChIInChI=1S/C14H27FN2/c1-4-13-9-16(10-13)11-14(15)5-7-17(8-6-14)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyLHXYPRONFOLYHK-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Ethylazetidin-3-yl)-4-fluoropiperidine
CID 53889450
3-(Fluoromethyl)-1-propan-2-ylpiperidine
CID 58029480
(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine
CID 58030220
(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine
CID 58030275
3-Fluoro-1,4-di(propan-2-yl)piperidine
CID 58280406
1-Tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine
CID 58364969
4,4-Difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine
CID 58404939
1-Propan-2-yl-4-(trifluoromethyl)piperidine
CID 58760561
1-(1,3-Difluoropropan-2-yl)-4-methylpiperidine
CID 58787293
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
(3R)-1-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580574

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine?
The IUPAC name of 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine (CID 166536676) is 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine is CCC1CN(CC2(F)CCN(C(C)C)CC2)C1.
What is the InChIKey of 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine?
The InChIKey is LHXYPRONFOLYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-4-13-9-16(10-13)11-14(15)5-7-17(8-6-14)12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine?
4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine has a molecular weight of 242.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine is sourced from PubChem (CID 166536676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).