4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine

C9H16F3N — CID 70335780

IUPAC4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine
SMILESCC1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-7-3-5-13(6-4-7)8(2)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyWWIRHAVPEAHXTO-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.67
Rot. Bonds1

About 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine

4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine (PubChem CID 70335780) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine
PubChem CID70335780
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine
SMILESCC1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-7-3-5-13(6-4-7)8(2)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyWWIRHAVPEAHXTO-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine?
The IUPAC name of 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine (CID 70335780) is 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine.
What is the SMILES notation for 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine?
The canonical SMILES for 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine is CC1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine?
The InChIKey is WWIRHAVPEAHXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7-3-5-13(6-4-7)8(2)9(10,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine?
4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine has a molecular weight of 195.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine is sourced from PubChem (CID 70335780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).