[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate

C14H19F6NO3 — CID 170305441

IUPAC[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate
SMILESCOC1(C(F)(F)F)CCN(CC2(COC(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H19F6NO3/c1-23-12(14(18,19)20)4-6-21(7-5-12)8-11(2-3-11)9-24-10(22)13(15,16)17/h2-9H2,1H3
InChIKeyXRIFQTDDOQSMOH-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.92
Rot. Bonds5

About [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate

[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate (PubChem CID 170305441) has the molecular formula C14H19F6NO3 and a molecular weight of 363.30 g/mol. Its IUPAC name is [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate
PubChem CID170305441
Molecular FormulaC14H19F6NO3
Molecular Weight363.30 g/mol
Exact Mass363.13
IUPAC Name[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate
SMILESCOC1(C(F)(F)F)CCN(CC2(COC(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H19F6NO3/c1-23-12(14(18,19)20)4-6-21(7-5-12)8-11(2-3-11)9-24-10(22)13(15,16)17/h2-9H2,1H3
InChIKeyXRIFQTDDOQSMOH-UHFFFAOYSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate?
The IUPAC name of [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate (CID 170305441) is [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate?
The canonical SMILES for [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate is COC1(C(F)(F)F)CCN(CC2(COC(=O)C(F)(F)F)CC2)CC1.
What is the InChIKey of [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate?
The InChIKey is XRIFQTDDOQSMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F6NO3/c1-23-12(14(18,19)20)4-6-21(7-5-12)8-11(2-3-11)9-24-10(22)13(15,16)17/h2-9H2,1H3.
What are the key properties of [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate?
[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate has a molecular weight of 363.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 170305441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).