4,4-difluoro-3-methyl-1-propan-2-ylpiperidine

C9H17F2N — CID 58110397

IUPAC4,4-difluoro-3-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(F)(F)C(C)C1
InChIInChI=1S/C9H17F2N/c1-7(2)12-5-4-9(10,11)8(3)6-12/h7-8H,4-6H2,1-3H3
InChIKeyZCTSCWKYNDIORH-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds1

About 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine

4,4-difluoro-3-methyl-1-propan-2-ylpiperidine (PubChem CID 58110397) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-1-propan-2-ylpiperidine
PubChem CID58110397
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4,4-difluoro-3-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(F)(F)C(C)C1
InChIInChI=1S/C9H17F2N/c1-7(2)12-5-4-9(10,11)8(3)6-12/h7-8H,4-6H2,1-3H3
InChIKeyZCTSCWKYNDIORH-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

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(3R)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541695
(3S)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541696
1-Methyl-3-(trifluoromethyl)piperidine
CID 4486325
1-(4-Fluorocyclohexyl)-4-propylpiperidine
CID 20268636
1-(4-Methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 20811798
4,4-Difluoro-1-(4-methylpentyl)piperidine
CID 20811829
4,4-Difluoro-1-(3-methylbutyl)piperidine
CID 20811830
4,4-Di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 21069095
2,2,3,3,4,4,5,6,6-Nonafluoro-5-methyl-1-propylpiperidine
CID 22253782

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine (CID 58110397) is 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine is CC(C)N1CCC(F)(F)C(C)C1.
What is the InChIKey of 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine?
The InChIKey is ZCTSCWKYNDIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)12-5-4-9(10,11)8(3)6-12/h7-8H,4-6H2,1-3H3.
What are the key properties of 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine?
4,4-difluoro-3-methyl-1-propan-2-ylpiperidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 58110397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).