(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone

C17H23F2NO3 — CID 70742601

IUPAC(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
SMILESCCCC1(CO)CCCN(C(=O)c2ccc(OC)c(F)c2F)C1
InChIInChI=1S/C17H23F2NO3/c1-3-7-17(11-21)8-4-9-20(10-17)16(22)12-5-6-13(23-2)15(19)14(12)18/h5-6,21H,3-4,7-11H2,1-2H3
InChIKeyKOQADCIAWXTQMR-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.99
Rot. Bonds5

About (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone

(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone (PubChem CID 70742601) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
PubChem CID70742601
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
SMILESCCCC1(CO)CCCN(C(=O)c2ccc(OC)c(F)c2F)C1
InChIInChI=1S/C17H23F2NO3/c1-3-7-17(11-21)8-4-9-20(10-17)16(22)12-5-6-13(23-2)15(19)14(12)18/h5-6,21H,3-4,7-11H2,1-2H3
InChIKeyKOQADCIAWXTQMR-UHFFFAOYSA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
CID 97142502
(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97142593
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97125477
[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
CID 72877710
5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 97153305
[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 97120712
[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 70743043
[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone
CID 126813675
3-ethoxy-1-[4-(2-fluoro-3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 137334957
[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 42298650
2-[4-(dimethylamino)phenyl]-1-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
CID 97148077
[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 42591222

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone?
The IUPAC name of (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone (CID 70742601) is (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone?
The canonical SMILES for (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone is CCCC1(CO)CCCN(C(=O)c2ccc(OC)c(F)c2F)C1.
What is the InChIKey of (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone?
The InChIKey is KOQADCIAWXTQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-3-7-17(11-21)8-4-9-20(10-17)16(22)12-5-6-13(23-2)15(19)14(12)18/h5-6,21H,3-4,7-11H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone?
(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone has a molecular weight of 327.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone is sourced from PubChem (CID 70742601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).