1-(3,3-difluoropropyl)-3-methylpiperidine

C9H17F2N — CID 176946116

IUPAC1-(3,3-difluoropropyl)-3-methylpiperidine
SMILESCC1CCCN(CCC(F)F)C1
InChIInChI=1S/C9H17F2N/c1-8-3-2-5-12(7-8)6-4-9(10)11/h8-9H,2-7H2,1H3
InChIKeyRDJMXLHSEOUNRJ-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds3

About 1-(3,3-difluoropropyl)-3-methylpiperidine

1-(3,3-difluoropropyl)-3-methylpiperidine (PubChem CID 176946116) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(3,3-difluoropropyl)-3-methylpiperidine.

Molecular Properties

Compound Name1-(3,3-difluoropropyl)-3-methylpiperidine
PubChem CID176946116
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(3,3-difluoropropyl)-3-methylpiperidine
SMILESCC1CCCN(CCC(F)F)C1
InChIInChI=1S/C9H17F2N/c1-8-3-2-5-12(7-8)6-4-9(10)11/h8-9H,2-7H2,1H3
InChIKeyRDJMXLHSEOUNRJ-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
1-butyl-3-methylpiperidine;ethane
CID 143349503
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
ethane;1-ethyl-3-methylpiperidine
CID 91361629
1-(3-fluorobutyl)-3-methylpyrrolidine
CID 130660857
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
CID 123857151
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
CID 63029058
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
4-(3-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029256

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropropyl)-3-methylpiperidine?
The IUPAC name of 1-(3,3-difluoropropyl)-3-methylpiperidine (CID 176946116) is 1-(3,3-difluoropropyl)-3-methylpiperidine.
What is the SMILES notation for 1-(3,3-difluoropropyl)-3-methylpiperidine?
The canonical SMILES for 1-(3,3-difluoropropyl)-3-methylpiperidine is CC1CCCN(CCC(F)F)C1.
What is the InChIKey of 1-(3,3-difluoropropyl)-3-methylpiperidine?
The InChIKey is RDJMXLHSEOUNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-8-3-2-5-12(7-8)6-4-9(10)11/h8-9H,2-7H2,1H3.
What are the key properties of 1-(3,3-difluoropropyl)-3-methylpiperidine?
1-(3,3-difluoropropyl)-3-methylpiperidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropropyl)-3-methylpiperidine is sourced from PubChem (CID 176946116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).