3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine

C12H15F3N2 — CID 175211299

IUPAC3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine
SMILESC[C@H]1CCCN(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2/c1-9-3-2-6-17(8-9)11-7-16-5-4-10(11)12(13,14)15/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyPEWPQIXZLULGMP-VIFPVBQESA-N
MW244.26 g/mol
LogP3.34
Rot. Bonds1

About 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine

3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine (PubChem CID 175211299) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine
PubChem CID175211299
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine
SMILESC[C@H]1CCCN(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2/c1-9-3-2-6-17(8-9)11-7-16-5-4-10(11)12(13,14)15/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyPEWPQIXZLULGMP-VIFPVBQESA-N
XLogP3.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine (CID 175211299) is 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine is C[C@H]1CCCN(c2cnccc2C(F)(F)F)C1.
What is the InChIKey of 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine?
The InChIKey is PEWPQIXZLULGMP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15F3N2/c1-9-3-2-6-17(8-9)11-7-16-5-4-10(11)12(13,14)15/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1.
What are the key properties of 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine?
3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine has a molecular weight of 244.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 175211299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).