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

C13H23F3N2 — CID 64756292

IUPAC[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)11-4-6-12(10-17,7-5-11)18-8-2-1-3-9-18/h11H,1-10,17H2
InChIKeyJTWNAZOALMWXJF-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.92
Rot. Bonds2

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

[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64756292) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64756292
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)11-4-6-12(10-17,7-5-11)18-8-2-1-3-9-18/h11H,1-10,17H2
InChIKeyJTWNAZOALMWXJF-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine (CID 64756292) is [1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine is NCC1(N2CCCCC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is JTWNAZOALMWXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c14-13(15,16)11-4-6-12(10-17,7-5-11)18-8-2-1-3-9-18/h11H,1-10,17H2.
What are the key properties of [1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine?
[1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64756292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).