3,3-difluoro-1-propan-2-yl-4-propylpiperidine

C11H21F2N — CID 162618217

IUPAC3,3-difluoro-1-propan-2-yl-4-propylpiperidine
SMILESCCCC1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C11H21F2N/c1-4-5-10-6-7-14(9(2)3)8-11(10,12)13/h9-10H,4-8H2,1-3H3
InChIKeyLJXIWPKAKYDGSC-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds3

About 3,3-difluoro-1-propan-2-yl-4-propylpiperidine

3,3-difluoro-1-propan-2-yl-4-propylpiperidine (PubChem CID 162618217) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-yl-4-propylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-yl-4-propylpiperidine
PubChem CID162618217
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name3,3-difluoro-1-propan-2-yl-4-propylpiperidine
SMILESCCCC1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C11H21F2N/c1-4-5-10-6-7-14(9(2)3)8-11(10,12)13/h9-10H,4-8H2,1-3H3
InChIKeyLJXIWPKAKYDGSC-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
CID 157352955
(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
CID 176933645
1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine
CID 170175606
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170448226
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62199436
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
1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 176558403
3,3-difluoro-4-propylpiperidine
CID 84651633
3,3-difluoro-4-propyloxane
CID 168887146

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-yl-4-propylpiperidine?
The IUPAC name of 3,3-difluoro-1-propan-2-yl-4-propylpiperidine (CID 162618217) is 3,3-difluoro-1-propan-2-yl-4-propylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-yl-4-propylpiperidine?
The canonical SMILES for 3,3-difluoro-1-propan-2-yl-4-propylpiperidine is CCCC1CCN(C(C)C)CC1(F)F.
What is the InChIKey of 3,3-difluoro-1-propan-2-yl-4-propylpiperidine?
The InChIKey is LJXIWPKAKYDGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-4-5-10-6-7-14(9(2)3)8-11(10,12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 3,3-difluoro-1-propan-2-yl-4-propylpiperidine?
3,3-difluoro-1-propan-2-yl-4-propylpiperidine has a molecular weight of 205.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-yl-4-propylpiperidine is sourced from PubChem (CID 162618217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).