(5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

C17H20FN3O2 — CID 166230592

IUPAC(5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCn1ccnc1CC1CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C17H20FN3O2/c1-20-9-6-19-16(20)10-12-4-7-21(8-5-12)17(23)14-11-13(18)2-3-15(14)22/h2-3,6,9,11-12,22H,4-5,7-8,10H2,1H3
InChIKeyLRJZMWGVLREFBR-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.36
Rot. Bonds3

About (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

(5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 166230592) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID166230592
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCn1ccnc1CC1CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C17H20FN3O2/c1-20-9-6-19-16(20)10-12-4-7-21(8-5-12)17(23)14-11-13(18)2-3-15(14)22/h2-3,6,9,11-12,22H,4-5,7-8,10H2,1H3
InChIKeyLRJZMWGVLREFBR-UHFFFAOYSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114801111
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115307142
(2,4-difluorophenyl)-[4-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]methanone
CID 137338230
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
(4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 167968324
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 126791461
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 166230592) is (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cn1ccnc1CC1CCN(C(=O)c2cc(F)ccc2O)CC1.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is LRJZMWGVLREFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20-9-6-19-16(20)10-12-4-7-21(8-5-12)17(23)14-11-13(18)2-3-15(14)22/h2-3,6,9,11-12,22H,4-5,7-8,10H2,1H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
(5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 317.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 166230592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).