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

C13H23F3N2 — CID 64753900

IUPAC[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)11-3-5-12(6-4-11)18-7-1-2-10(8-17)9-18/h10-12H,1-9,17H2
InChIKeyGGIBBVSQGSNOTQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.78
Rot. Bonds2

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

[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine (PubChem CID 64753900) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine
PubChem CID64753900
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)11-3-5-12(6-4-11)18-7-1-2-10(8-17)9-18/h10-12H,1-9,17H2
InChIKeyGGIBBVSQGSNOTQ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine (CID 64753900) is [1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine is NCC1CCCN(C2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of [1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine?
The InChIKey is GGIBBVSQGSNOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c14-13(15,16)11-3-5-12(6-4-11)18-7-1-2-10(8-17)9-18/h10-12H,1-9,17H2.
What are the key properties of [1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine?
[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 64753900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).