1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine

C13H24F2N2 — CID 170175606

IUPAC1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine
SMILESCCCC1CCN(C2CN(CC)C2)CC1(F)F
InChIInChI=1S/C13H24F2N2/c1-3-5-11-6-7-17(10-13(11,14)15)12-8-16(4-2)9-12/h11-12H,3-10H2,1-2H3
InChIKeyHPOJPHGRSAKVFU-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.45
Rot. Bonds4

About 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine

1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine (PubChem CID 170175606) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine
PubChem CID170175606
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine
SMILESCCCC1CCN(C2CN(CC)C2)CC1(F)F
InChIInChI=1S/C13H24F2N2/c1-3-5-11-6-7-17(10-13(11,14)15)12-8-16(4-2)9-12/h11-12H,3-10H2,1-2H3
InChIKeyHPOJPHGRSAKVFU-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine
CID 58404939
(3R)-1-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580574
(3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine
CID 66580738
(3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580872
(3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine
CID 66580897
1-(1-Ethylazetidin-3-yl)-4,4-difluoropiperidine
CID 68257899
(3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 68267594
(3S)-1-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 68267610
1-Methyl-4-[4-(trifluoromethyl)cyclohexyl]piperazine
CID 69939149
1-[2-(3-Fluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 77147805
1-[2-(3,3-Difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 77147837
1-(3-Ethylcyclobutyl)-4-(2-fluoroethyl)piperazine
CID 88575778

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine (CID 170175606) is 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine is CCCC1CCN(C2CN(CC)C2)CC1(F)F.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine?
The InChIKey is HPOJPHGRSAKVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-3-5-11-6-7-17(10-13(11,14)15)12-8-16(4-2)9-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine?
1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine has a molecular weight of 246.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine is sourced from PubChem (CID 170175606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).