3-methyl-1-(3,3,3-trifluoropropyl)piperidine

C9H16F3N — CID 77147847

IUPAC3-methyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESCC1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-8-3-2-5-13(7-8)6-4-9(10,11)12/h8H,2-7H2,1H3
InChIKeyLJIDINXVUAPXKZ-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.67
Rot. Bonds2

About 3-methyl-1-(3,3,3-trifluoropropyl)piperidine

3-methyl-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 77147847) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID77147847
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3-methyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESCC1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-8-3-2-5-13(7-8)6-4-9(10,11)12/h8H,2-7H2,1H3
InChIKeyLJIDINXVUAPXKZ-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-(3,3,3-trifluoropropyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide
CID 159332377
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride
CID 56831695
1-butyl-3-methylpiperidine;ethane
CID 143349503
3-(3-methylpiperidin-1-yl)propanethioamide
CID 24690100
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435
ethane;1-ethyl-3-methylpiperidine
CID 91361629
(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580780

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)piperidine (CID 77147847) is 3-methyl-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 3-methyl-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 3-methyl-1-(3,3,3-trifluoropropyl)piperidine is CC1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is LJIDINXVUAPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-8-3-2-5-13(7-8)6-4-9(10,11)12/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(3,3,3-trifluoropropyl)piperidine?
3-methyl-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 195.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 77147847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).