(3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine

C11H19F2NO — CID 140943544

IUPAC(3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
SMILESCC(C)[C@H]1CN(C2COC2)CCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-8(2)10-5-14(9-6-15-7-9)4-3-11(10,12)13/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeySDNHBQQHRGLFIK-SNVBAGLBSA-N
MW219.27 g/mol
LogP2.00
Rot. Bonds2

About (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine

(3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine (PubChem CID 140943544) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
PubChem CID140943544
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name(3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
SMILESCC(C)[C@H]1CN(C2COC2)CCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-8(2)10-5-14(9-6-15-7-9)4-3-11(10,12)13/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeySDNHBQQHRGLFIK-SNVBAGLBSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 129066643
4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine
CID 129270060
4-Methyl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 130420846
1-(Oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 130440259
3,3-Difluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 131152778
4-[(3,3-Difluoro-1-propan-2-ylcyclobutyl)methyl]morpholine
CID 134302929
3,3-Difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine
CID 137391623
4,4-Difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
CID 137391663
4-Fluoro-4-methyl-1-(oxetan-3-yl)piperidine
CID 137512520
3-Ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 138617821
3,3-Difluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 138617857
4-Ethyl-3,3-difluoro-1-(oxetan-3-yl)piperidine
CID 138751967

Frequently Asked Questions

What is the IUPAC name of (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine?
The IUPAC name of (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine (CID 140943544) is (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine.
What is the SMILES notation for (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine?
The canonical SMILES for (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine is CC(C)[C@H]1CN(C2COC2)CCC1(F)F.
What is the InChIKey of (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine?
The InChIKey is SDNHBQQHRGLFIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8(2)10-5-14(9-6-15-7-9)4-3-11(10,12)13/h8-10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine?
(3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine has a molecular weight of 219.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 140943544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).