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

C10H19F2N — CID 157352955

IUPAC(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
SMILESCC[C@H]1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C10H19F2N/c1-4-9-5-6-13(8(2)3)7-10(9,11)12/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyXYZQQUOZZDDARH-VIFPVBQESA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds2

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

(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine (PubChem CID 157352955) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is (4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
PubChem CID157352955
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
SMILESCC[C@H]1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C10H19F2N/c1-4-9-5-6-13(8(2)3)7-10(9,11)12/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyXYZQQUOZZDDARH-VIFPVBQESA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
CID 176933645
3,3-difluoro-1-propan-2-yl-4-propylpiperidine
CID 162618217
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170448226
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
1-(4-ethyl-3,3-difluoropiperidin-1-yl)prop-2-en-1-one;1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 178013319
ethane;8-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
CID 154670982
3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine
CID 171598858
1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one
CID 165059219
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
3-ethyl-1,2,2-trifluoropyrrolidine
CID 162568340
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine?
The IUPAC name of (4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine (CID 157352955) is (4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine.
What is the SMILES notation for (4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine?
The canonical SMILES for (4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine is CC[C@H]1CCN(C(C)C)CC1(F)F.
What is the InChIKey of (4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine?
The InChIKey is XYZQQUOZZDDARH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19F2N/c1-4-9-5-6-13(8(2)3)7-10(9,11)12/h8-9H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine?
(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine is sourced from PubChem (CID 157352955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).