1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane

C27H43F2N3O3 — CID 145497281

IUPAC1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane
SMILESC1CCN(C2CCC2)CC1.CC.O=C1COCC(CN2CCC(F)(F)CC2)N1c1ccc(O)cc1
InChIInChI=1S/C16H20F2N2O3.C9H17N.C2H6/c17-16(18)5-7-19(8-6-16)9-13-10-23-11-15(22)20(13)12-1-3-14(21)4-2-12;1-2-7-10(8-3-1)9-5-4-6-9;1-2/h1-4,13,21H,5-11H2;9H,1-8H2;1-2H3
InChIKeyFJHOOFDUNHADGR-UHFFFAOYSA-N
MW495.66 g/mol
LogP4.91
Rot. Bonds4

About 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane

1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane (PubChem CID 145497281) has the molecular formula C27H43F2N3O3 and a molecular weight of 495.66 g/mol. Its IUPAC name is 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane.

Molecular Properties

Compound Name1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane
PubChem CID145497281
Molecular FormulaC27H43F2N3O3
Molecular Weight495.66 g/mol
Exact Mass495.33
IUPAC Name1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane
SMILESC1CCN(C2CCC2)CC1.CC.O=C1COCC(CN2CCC(F)(F)CC2)N1c1ccc(O)cc1
InChIInChI=1S/C16H20F2N2O3.C9H17N.C2H6/c17-16(18)5-7-19(8-6-16)9-13-10-23-11-15(22)20(13)12-1-3-14(21)4-2-12;1-2-7-10(8-3-1)9-5-4-6-9;1-2/h1-4,13,21H,5-11H2;9H,1-8H2;1-2H3
InChIKeyFJHOOFDUNHADGR-UHFFFAOYSA-N
XLogP4.91
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.66
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
CID 115060512
1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid
CID 143903677
4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009566
5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060503
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one
CID 79867102
4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66784408
9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985840
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 58243437
5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one
CID 115102735
1-cyclobutylpiperidine;4-methylbenzenethiol
CID 145497273

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane?
The IUPAC name of 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane (CID 145497281) is 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane.
What is the SMILES notation for 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane?
The canonical SMILES for 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane is C1CCN(C2CCC2)CC1.CC.O=C1COCC(CN2CCC(F)(F)CC2)N1c1ccc(O)cc1.
What is the InChIKey of 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane?
The InChIKey is FJHOOFDUNHADGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3.C9H17N.C2H6/c17-16(18)5-7-19(8-6-16)9-13-10-23-11-15(22)20(13)12-1-3-14(21)4-2-12;1-2-7-10(8-3-1)9-5-4-6-9;1-2/h1-4,13,21H,5-11H2;9H,1-8H2;1-2H3.
What are the key properties of 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane?
1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane has a molecular weight of 495.66 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane is sourced from PubChem (CID 145497281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).