3-methyl-3-(3,3,3-trifluoropropoxy)piperidine

C9H16F3NO — CID 107385578

IUPAC3-methyl-3-(3,3,3-trifluoropropoxy)piperidine
SMILESCC1(OCCC(F)(F)F)CCCNC1
InChIInChI=1S/C9H16F3NO/c1-8(3-2-5-13-7-8)14-6-4-9(10,11)12/h13H,2-7H2,1H3
InChIKeySZEQSRZOFRJGSK-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds3

About 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine

3-methyl-3-(3,3,3-trifluoropropoxy)piperidine (PubChem CID 107385578) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine.

Molecular Properties

Compound Name3-methyl-3-(3,3,3-trifluoropropoxy)piperidine
PubChem CID107385578
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-methyl-3-(3,3,3-trifluoropropoxy)piperidine
SMILESCC1(OCCC(F)(F)F)CCCNC1
InChIInChI=1S/C9H16F3NO/c1-8(3-2-5-13-7-8)14-6-4-9(10,11)12/h13H,2-7H2,1H3
InChIKeySZEQSRZOFRJGSK-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpiperidin-3-yl)oxyethanamine
CID 143190945
3-(2-ethylsulfanylethoxy)-3-methylpiperidine
CID 107385607
3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 178127838
3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine
CID 107385838
3-but-2-ynoxy-3-methylpiperidine
CID 107385814
N-cyclopropyl-3-(3-methylpiperidin-3-yl)oxypropanamide
CID 107385799
3-[2-(3-methylpiperidin-3-yl)oxyethyl]pyridine
CID 107385730
3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine
CID 83066940
2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine
CID 63132921
4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one
CID 116569546
1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone
CID 107385595
3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]piperidine
CID 107385886

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine?
The IUPAC name of 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine (CID 107385578) is 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine.
What is the SMILES notation for 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine?
The canonical SMILES for 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine is CC1(OCCC(F)(F)F)CCCNC1.
What is the InChIKey of 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine?
The InChIKey is SZEQSRZOFRJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(3-2-5-13-7-8)14-6-4-9(10,11)12/h13H,2-7H2,1H3.
What are the key properties of 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine?
3-methyl-3-(3,3,3-trifluoropropoxy)piperidine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3,3,3-trifluoropropoxy)piperidine is sourced from PubChem (CID 107385578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).