(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone

C17H24FNO4 — CID 97125477

IUPAC(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@]1(CO)CCCN(C(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C17H24FNO4/c1-22-9-7-17(12-20)6-3-8-19(11-17)16(21)13-4-5-15(23-2)14(18)10-13/h4-5,10,20H,3,6-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyQPCKPBAELOMZAT-QGZVFWFLSA-N
MW325.38 g/mol
LogP2.09
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone

(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 97125477) has the molecular formula C17H24FNO4 and a molecular weight of 325.38 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID97125477
Molecular FormulaC17H24FNO4
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@]1(CO)CCCN(C(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C17H24FNO4/c1-22-9-7-17(12-20)6-3-8-19(11-17)16(21)13-4-5-15(23-2)14(18)10-13/h4-5,10,20H,3,6-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyQPCKPBAELOMZAT-QGZVFWFLSA-N
XLogP2.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97142593
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138469
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 46942789
(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 70742601
[(4aR,8aR)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 97363235
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97149583
(2,6-dimethylpyrimidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138865
2-(3,4-dimethylphenoxy)-1-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 97130859
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 72925090
(5-chlorofuran-2-yl)-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97150459

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone (CID 97125477) is (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone is COCC[C@]1(CO)CCCN(C(=O)c2ccc(OC)c(F)c2)C1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is QPCKPBAELOMZAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24FNO4/c1-22-9-7-17(12-20)6-3-8-19(11-17)16(21)13-4-5-15(23-2)14(18)10-13/h4-5,10,20H,3,6-9,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 325.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97125477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).