(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone

C15H21FN2O2 — CID 107674300

IUPAC(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-7-17-11-5-8-18(9-6-11)15(20)13-4-3-12(19)10-14(13)16/h3-4,10-11,17,19H,2,5-9H2,1H3
InChIKeyXHBJJOMWHALVQJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.14
Rot. Bonds4

About (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone

(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone (PubChem CID 107674300) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
PubChem CID107674300
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-7-17-11-5-8-18(9-6-11)15(20)13-4-3-12(19)10-14(13)16/h3-4,10-11,17,19H,2,5-9H2,1H3
InChIKeyXHBJJOMWHALVQJ-UHFFFAOYSA-N
XLogP2.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107670477
(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60818593
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677548
N-[4-(ethylamino)cyclohexyl]-2-fluoro-4-hydroxybenzamide
CID 107675625
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(2-fluoro-4-methylphenyl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498661
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone (CID 107674300) is (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)c2ccc(O)cc2F)CC1.
What is the InChIKey of (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is XHBJJOMWHALVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-7-17-11-5-8-18(9-6-11)15(20)13-4-3-12(19)10-14(13)16/h3-4,10-11,17,19H,2,5-9H2,1H3.
What are the key properties of (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 280.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 107674300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).