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

C9H16F3N — CID 66580938

IUPAC(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESC[C@@H]1CCCN(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/t8-/m1/s1
InChIKeyLJIDINXVUAPXKZ-MRVPVSSYSA-N
MW195.23 g/mol
LogP2.67
Rot. Bonds2

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

(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 66580938) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID66580938
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESC[C@@H]1CCCN(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/t8-/m1/s1
InChIKeyLJIDINXVUAPXKZ-MRVPVSSYSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine (CID 66580938) is (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine is C[C@@H]1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is LJIDINXVUAPXKZ-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine?
(3R)-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 (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 66580938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).