(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone

C18H28F5NO — CID 129181425

IUPAC(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone
SMILESCC1(C)CCN(C(C)(C)C)CC1C(=O)C1C(F)C(F)C(F)C(F)C1F
InChIInChI=1S/C18H28F5NO/c1-17(2,3)24-7-6-18(4,5)9(8-24)16(25)10-11(19)13(21)15(23)14(22)12(10)20/h9-15H,6-8H2,1-5H3
InChIKeyQSTXFMDGFUVPRV-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.02
Rot. Bonds2

About (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone

(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone (PubChem CID 129181425) has the molecular formula C18H28F5NO and a molecular weight of 369.42 g/mol. Its IUPAC name is (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone
PubChem CID129181425
Molecular FormulaC18H28F5NO
Molecular Weight369.42 g/mol
Exact Mass369.21
IUPAC Name(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone
SMILESCC1(C)CCN(C(C)(C)C)CC1C(=O)C1C(F)C(F)C(F)C(F)C1F
InChIInChI=1S/C18H28F5NO/c1-17(2,3)24-7-6-18(4,5)9(8-24)16(25)10-11(19)13(21)15(23)14(22)12(10)20/h9-15H,6-8H2,1-5H3
InChIKeyQSTXFMDGFUVPRV-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone with MolForge

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Related Compounds

(1-Tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone
CID 129181423
1-(1-Tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one
CID 129181430
4-Tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611877
4-Tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62613203
4,4-Dimethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 65530077
4-Propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 65530463
4-Propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 65531821
4,4-Dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 65532018
4-Propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 65532406
4-Propyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 65532786
2,2-Dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 79852994
2,2-Dimethyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 79853078

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone?
The IUPAC name of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone (CID 129181425) is (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone.
What is the SMILES notation for (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone?
The canonical SMILES for (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone is CC1(C)CCN(C(C)(C)C)CC1C(=O)C1C(F)C(F)C(F)C(F)C1F.
What is the InChIKey of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone?
The InChIKey is QSTXFMDGFUVPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F5NO/c1-17(2,3)24-7-6-18(4,5)9(8-24)16(25)10-11(19)13(21)15(23)14(22)12(10)20/h9-15H,6-8H2,1-5H3.
What are the key properties of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone?
(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone has a molecular weight of 369.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone is sourced from PubChem (CID 129181425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).