ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone

C15H29FN2O3 — CID 156707411

IUPACethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
SMILESCC.O=C(CO)N1CCC(CN2CCC(O)C(F)C2)CC1
InChIInChI=1S/C13H23FN2O3.C2H6/c14-11-8-15(4-3-12(11)18)7-10-1-5-16(6-2-10)13(19)9-17;1-2/h10-12,17-18H,1-9H2;1-2H3
InChIKeyJAAQPVCZASKADF-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.65
Rot. Bonds3

About ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone

ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 156707411) has the molecular formula C15H29FN2O3 and a molecular weight of 304.41 g/mol. Its IUPAC name is ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Nameethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID156707411
Molecular FormulaC15H29FN2O3
Molecular Weight304.41 g/mol
Exact Mass304.22
IUPAC Nameethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
SMILESCC.O=C(CO)N1CCC(CN2CCC(O)C(F)C2)CC1
InChIInChI=1S/C13H23FN2O3.C2H6/c14-11-8-15(4-3-12(11)18)7-10-1-5-16(6-2-10)13(19)9-17;1-2/h10-12,17-18H,1-9H2;1-2H3
InChIKeyJAAQPVCZASKADF-UHFFFAOYSA-N
XLogP0.65
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 89970284
1-(3-Ethylpiperidin-1-yl)-2-hydroxypropan-1-one;1-(3-ethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 144443469
1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone
CID 148826626
1-[4-[2-(3-Fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378
(2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one
CID 126791037
(2S)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 131020540
(2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 131134500
1-[4-[(3-Fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 156707412
1,1,1-Trifluoro-3-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undec-9-yl)-3-oxo-2-propanol
CID 162633565
4-[2-(3-Fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride
CID 165116564
1-[4-[2-(3-Fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 171550650
1-[4-[(3,3-Difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 177161057

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone (CID 156707411) is ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone is CC.O=C(CO)N1CCC(CN2CCC(O)C(F)C2)CC1.
What is the InChIKey of ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is JAAQPVCZASKADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3.C2H6/c14-11-8-15(4-3-12(11)18)7-10-1-5-16(6-2-10)13(19)9-17;1-2/h10-12,17-18H,1-9H2;1-2H3.
What are the key properties of ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone?
ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 304.41 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(3-fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 156707411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).