2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C14H21F3N2O — CID 114489888

IUPAC2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESNC1(CC(=O)N2CC=C(C(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)11-4-8-19(9-5-11)12(20)10-13(18)6-2-1-3-7-13/h4H,1-3,5-10,18H2
InChIKeyBOZQZNSSTYMVNK-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.76
Rot. Bonds2

About 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114489888) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114489888
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESNC1(CC(=O)N2CC=C(C(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)11-4-8-19(9-5-11)12(20)10-13(18)6-2-1-3-7-13/h4H,1-3,5-10,18H2
InChIKeyBOZQZNSSTYMVNK-UHFFFAOYSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(aminomethyl)cyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104963835
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107487071
4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 107487199
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107487201
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107487453
4,4-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 113618277
3,3-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114226523
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489764
[1-(aminomethyl)cycloheptyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489765
(2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489813
[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489827
2-[1-(aminomethyl)cyclohexyl]-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489831

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114489888) is 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is NC1(CC(=O)N2CC=C(C(F)(F)F)CC2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is BOZQZNSSTYMVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)11-4-8-19(9-5-11)12(20)10-13(18)6-2-1-3-7-13/h4H,1-3,5-10,18H2.
What are the key properties of 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 290.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114489888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).