1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine

C13H23F3N2 — CID 83074157

IUPAC1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESCCC1(CN2CCC(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C13H23F3N2/c1-2-12(6-3-7-17-12)10-18-8-4-11(5-9-18)13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyMAASZHFOOMBPOJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds3

About 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine

1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine (PubChem CID 83074157) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine
PubChem CID83074157
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESCCC1(CN2CCC(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C13H23F3N2/c1-2-12(6-3-7-17-12)10-18-8-4-11(5-9-18)13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyMAASZHFOOMBPOJ-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine (CID 83074157) is 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine is CCC1(CN2CCC(C(F)(F)F)CC2)CCCN1.
What is the InChIKey of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is MAASZHFOOMBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-2-12(6-3-7-17-12)10-18-8-4-11(5-9-18)13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine?
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 83074157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).