cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone

C18H31FN2O2 — CID 157039119

IUPACcyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(F)(CN2CCC(O)CC2)CC1
InChIInChI=1S/C18H31FN2O2/c19-18(14-20-10-6-16(22)7-11-20)8-12-21(13-9-18)17(23)15-4-2-1-3-5-15/h15-16,22H,1-14H2
InChIKeyXIBPDOLQYDARGY-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.35
Rot. Bonds3

About cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone

cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 157039119) has the molecular formula C18H31FN2O2 and a molecular weight of 326.46 g/mol. Its IUPAC name is cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID157039119
Molecular FormulaC18H31FN2O2
Molecular Weight326.46 g/mol
Exact Mass326.24
IUPAC Namecyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(F)(CN2CCC(O)CC2)CC1
InChIInChI=1S/C18H31FN2O2/c19-18(14-20-10-6-16(22)7-11-20)8-12-21(13-9-18)17(23)15-4-2-1-3-5-15/h15-16,22H,1-14H2
InChIKeyXIBPDOLQYDARGY-UHFFFAOYSA-N
XLogP2.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 155721036
cyclohexyl-[4-fluoro-4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 157039096
[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
[4-(Trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039347
[4-(trifluoromethyl)cyclohexyl]-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 166834289
(4-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932317
(4,4-Difluorocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81932354
(4,4-Difluorocyclohexyl)-[4-(3-hydroxypropoxy)piperidin-1-yl]methanone
CID 109869268
(4-Hydroxypiperidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 110895192
4-Cyclohexyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 112329074
Cyclohexyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329083
(4-Hydroxypiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 112684956

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone (CID 157039119) is cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(F)(CN2CCC(O)CC2)CC1.
What is the InChIKey of cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is XIBPDOLQYDARGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2O2/c19-18(14-20-10-6-16(22)7-11-20)8-12-21(13-9-18)17(23)15-4-2-1-3-5-15/h15-16,22H,1-14H2.
What are the key properties of cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone?
cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 326.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 157039119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).