(4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C14H23F2NO2 — CID 103859881

IUPAC(4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H23F2NO2/c1-10(18)11-4-8-17(9-5-11)13(19)12-2-6-14(15,16)7-3-12/h10-12,18H,2-9H2,1H3
InChIKeyXRAZCXPLVTUBCC-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.43
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 103859881) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID103859881
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name(4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H23F2NO2/c1-10(18)11-4-8-17(9-5-11)13(19)12-2-6-14(15,16)7-3-12/h10-12,18H,2-9H2,1H3
InChIKeyXRAZCXPLVTUBCC-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Ethylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 121516217
3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
[(3R)-3-hydroxypiperidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126835510
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
1-(4,4-Difluorocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 81930234
1-[3-(Difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 126716199
1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 139513592
[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 155721036
[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
1,1-Difluoro-4-(methoxymethyl)cyclohexane;1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 164604398
(4,4-Difluorocyclohexyl)methanol;1-(4-methoxypiperidin-1-yl)butan-1-one
CID 164604512
(4,4-Difluorocyclohexyl)methanol;1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 164604891

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 103859881) is (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)C2CCC(F)(F)CC2)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is XRAZCXPLVTUBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-10(18)11-4-8-17(9-5-11)13(19)12-2-6-14(15,16)7-3-12/h10-12,18H,2-9H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 275.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103859881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).