(4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

C18H23F3N2O — CID 162403222

IUPAC(4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC(C2CCCCC2)CC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)16-7-6-15(12-22-16)17(24)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h6-7,12-14H,1-5,8-11H2
InChIKeyATUTXHLMVOBPIV-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.53
Rot. Bonds2

About (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

(4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 162403222) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID162403222
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name(4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC(C2CCCCC2)CC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)16-7-6-15(12-22-16)17(24)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h6-7,12-14H,1-5,8-11H2
InChIKeyATUTXHLMVOBPIV-UHFFFAOYSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 162403222) is (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCC(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is ATUTXHLMVOBPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c19-18(20,21)16-7-6-15(12-22-16)17(24)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h6-7,12-14H,1-5,8-11H2.
What are the key properties of (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
(4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 340.39 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 162403222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).