[4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine

C14H25F3N2O — CID 115963209

IUPAC[4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(C2CCCC(C(F)(F)F)C2)C(CN)C1
InChIInChI=1S/C14H25F3N2O/c1-20-13-5-6-19(12(8-13)9-18)11-4-2-3-10(7-11)14(15,16)17/h10-13H,2-9,18H2,1H3
InChIKeyYJEDQDLVMYITCC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.55
Rot. Bonds3

About [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine

[4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine (PubChem CID 115963209) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine
PubChem CID115963209
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name[4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(C2CCCC(C(F)(F)F)C2)C(CN)C1
InChIInChI=1S/C14H25F3N2O/c1-20-13-5-6-19(12(8-13)9-18)11-4-2-3-10(7-11)14(15,16)17/h10-13H,2-9,18H2,1H3
InChIKeyYJEDQDLVMYITCC-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine (CID 115963209) is [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine is COC1CCN(C2CCCC(C(F)(F)F)C2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine?
The InChIKey is YJEDQDLVMYITCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-20-13-5-6-19(12(8-13)9-18)11-4-2-3-10(7-11)14(15,16)17/h10-13H,2-9,18H2,1H3.
What are the key properties of [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine has a molecular weight of 294.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 115963209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).