(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

C16H24F3NO — CID 169023692

IUPAC(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(C)C1=CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H24F3NO/c1-11(2)12-7-9-20(10-8-12)15(21)13-3-5-14(6-4-13)16(17,18)19/h7,11,13-14H,3-6,8-10H2,1-2H3
InChIKeySYBHYTJUTIOHCM-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.17
Rot. Bonds2

About (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 169023692) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID169023692
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(C)C1=CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H24F3NO/c1-11(2)12-7-9-20(10-8-12)15(21)13-3-5-14(6-4-13)16(17,18)19/h7,11,13-14H,3-6,8-10H2,1-2H3
InChIKeySYBHYTJUTIOHCM-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexyl(3,6-dihydro-1(2H)-pyridinyl)methanone
CID 3047538
3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide
CID 122647561
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 128104626
4,4,4-trifluoro-1-(4-pentan-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 134375484
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 169303476
[4-(aminomethyl)cyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104963835
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]-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
4-(2-aminoethyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one
CID 114489844

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (CID 169023692) is (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is CC(C)C1=CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is SYBHYTJUTIOHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-11(2)12-7-9-20(10-8-12)15(21)13-3-5-14(6-4-13)16(17,18)19/h7,11,13-14H,3-6,8-10H2,1-2H3.
What are the key properties of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 303.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 169023692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).