2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine

C12H21F3N2 — CID 175408092

IUPAC2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine
SMILESC[C@H]1CCCN(C2NCCCC2C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-9-4-3-7-17(8-9)11-10(12(13,14)15)5-2-6-16-11/h9-11,16H,2-8H2,1H3/t9-,10?,11?/m0/s1
InChIKeyYDBQQDAHHZESRH-WHXUTIOJSA-N
MW250.31 g/mol
LogP2.61
Rot. Bonds1

About 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine

2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine (PubChem CID 175408092) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine
PubChem CID175408092
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine
SMILESC[C@H]1CCCN(C2NCCCC2C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-9-4-3-7-17(8-9)11-10(12(13,14)15)5-2-6-16-11/h9-11,16H,2-8H2,1H3/t9-,10?,11?/m0/s1
InChIKeyYDBQQDAHHZESRH-WHXUTIOJSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine (CID 175408092) is 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine is C[C@H]1CCCN(C2NCCCC2C(F)(F)F)C1.
What is the InChIKey of 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine?
The InChIKey is YDBQQDAHHZESRH-WHXUTIOJSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-9-4-3-7-17(8-9)11-10(12(13,14)15)5-2-6-16-11/h9-11,16H,2-8H2,1H3/t9-,10?,11?/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine?
2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine has a molecular weight of 250.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 175408092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).