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

C18H31F2NO — CID 129181423

IUPAC(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone
SMILESCC1(C)CCN(C(C)(C)C)CC1C(=O)C1C(F)CCCC1F
InChIInChI=1S/C18H31F2NO/c1-17(2,3)21-10-9-18(4,5)12(11-21)16(22)15-13(19)7-6-8-14(15)20/h12-15H,6-11H2,1-5H3
InChIKeyMKUJWFFXLXGCSW-UHFFFAOYSA-N
MW315.45 g/mol
LogP4.18
Rot. Bonds2

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

(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone (PubChem CID 129181423) has the molecular formula C18H31F2NO and a molecular weight of 315.45 g/mol. Its IUPAC name is (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone
PubChem CID129181423
Molecular FormulaC18H31F2NO
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Name(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone
SMILESCC1(C)CCN(C(C)(C)C)CC1C(=O)C1C(F)CCCC1F
InChIInChI=1S/C18H31F2NO/c1-17(2,3)21-10-9-18(4,5)12(11-21)16(22)15-13(19)7-6-8-14(15)20/h12-15H,6-11H2,1-5H3
InChIKeyMKUJWFFXLXGCSW-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(11S)-11-butyl-1-methyl-1-azaspiro[5.5]undecan-10-one
CID 44383140
[5-Fluoro-2-(propan-2-yl)cyclohexyl](1-methylpiperidin-4-yl)methanone
CID 58539895
(1-Tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone
CID 129181425
1-(1-Tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoroethanone
CID 129181426
1-(1-Tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one
CID 129181430
4-Tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611874
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-Tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62613532
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-Ethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 65531624

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone?
The IUPAC name of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone (CID 129181423) is (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone.
What is the SMILES notation for (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone?
The canonical SMILES for (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone is CC1(C)CCN(C(C)(C)C)CC1C(=O)C1C(F)CCCC1F.
What is the InChIKey of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone?
The InChIKey is MKUJWFFXLXGCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F2NO/c1-17(2,3)21-10-9-18(4,5)12(11-21)16(22)15-13(19)7-6-8-14(15)20/h12-15H,6-11H2,1-5H3.
What are the key properties of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone?
(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone has a molecular weight of 315.45 g/mol, XLogP of 4.18, 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)-(2,6-difluorocyclohexyl)methanone is sourced from PubChem (CID 129181423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).