N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine

C12H21F3N2 — CID 83006279

IUPACN-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine
SMILESFC(F)(F)C1CCCC(NN2CCCCC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)10-5-4-6-11(9-10)16-17-7-2-1-3-8-17/h10-11,16H,1-9H2
InChIKeyCPFFGLBBZPCPMI-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.10
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine

N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine (PubChem CID 83006279) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine
PubChem CID83006279
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine
SMILESFC(F)(F)C1CCCC(NN2CCCCC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)10-5-4-6-11(9-10)16-17-7-2-1-3-8-17/h10-11,16H,1-9H2
InChIKeyCPFFGLBBZPCPMI-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine (CID 83006279) is N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine is FC(F)(F)C1CCCC(NN2CCCCC2)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine?
The InChIKey is CPFFGLBBZPCPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)10-5-4-6-11(9-10)16-17-7-2-1-3-8-17/h10-11,16H,1-9H2.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine?
N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine has a molecular weight of 250.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]piperidin-1-amine is sourced from PubChem (CID 83006279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).