2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine

C10H20FN — CID 89385784

IUPAC2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine
SMILESCC1CCC(CF)N(C(C)C)C1
InChIInChI=1S/C10H20FN/c1-8(2)12-7-9(3)4-5-10(12)6-11/h8-10H,4-7H2,1-3H3
InChIKeyJZQDFYIGEFMFBH-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.46
Rot. Bonds2

About 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine

2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine (PubChem CID 89385784) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine
PubChem CID89385784
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine
SMILESCC1CCC(CF)N(C(C)C)C1
InChIInChI=1S/C10H20FN/c1-8(2)12-7-9(3)4-5-10(12)6-11/h8-10H,4-7H2,1-3H3
InChIKeyJZQDFYIGEFMFBH-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1-Ethyl-3-methylpiperidine
CID 102760
1,2,5-Trimethylpiperidine
CID 338922
cis-1,3,5-Trimethylpiperidine
CID 642618
rel-(3R,5R)-1,3,5-Trimethylpiperidine
CID 21600125
Piperidine, 1,2,4-trimethyl-
CID 21627804
(2S,4S)-1,2,4-trimethylpiperidine
CID 21627805
1-Butyl-3-methylpiperidine
CID 6428881
Piperidine, 1-propyl-3-methyl
CID 6428890
Piperidine, 1,2,2,4-tetramethyl-
CID 23423757
1,2,4,6-Tetramethylpiperidine
CID 435108
1-(tert-Butyl)-3-methyl-piperidine
CID 587674

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine (CID 89385784) is 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine is CC1CCC(CF)N(C(C)C)C1.
What is the InChIKey of 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine?
The InChIKey is JZQDFYIGEFMFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-8(2)12-7-9(3)4-5-10(12)6-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine?
2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine has a molecular weight of 173.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 89385784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).