1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol

C16H25FN2O2 — CID 102960923

IUPAC1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol
SMILESCOCCNCc1ccc(N2CCC(C)C(O)C2)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-12-5-7-19(11-16(12)20)15-4-3-13(9-14(15)17)10-18-6-8-21-2/h3-4,9,12,16,18,20H,5-8,10-11H2,1-2H3
InChIKeyNPHVHALLBXOFLM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.77
Rot. Bonds6

About 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol

1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol (PubChem CID 102960923) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol
PubChem CID102960923
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol
SMILESCOCCNCc1ccc(N2CCC(C)C(O)C2)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-12-5-7-19(11-16(12)20)15-4-3-13(9-14(15)17)10-18-6-8-21-2/h3-4,9,12,16,18,20H,5-8,10-11H2,1-2H3
InChIKeyNPHVHALLBXOFLM-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(azocan-1-yl)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63060536
N-[[3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 102961339
1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol
CID 114679351
N-[(3-fluoro-4-thiomorpholin-4-ylphenyl)methyl]-2-methoxyethanamine
CID 63058750
N-[[3-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]ethanamine
CID 64598197
1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
CID 102960877
2-methoxy-N-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 63058712
4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol
CID 102960910
2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 84754239
N-[[3-chloro-4-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81144196
1-[2-chloro-4-[(2-methylpropylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960937
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-fluorophenyl]methyl]ethanamine
CID 43620596

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol (CID 102960923) is 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol is COCCNCc1ccc(N2CCC(C)C(O)C2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol?
The InChIKey is NPHVHALLBXOFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-12-5-7-19(11-16(12)20)15-4-3-13(9-14(15)17)10-18-6-8-21-2/h3-4,9,12,16,18,20H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol?
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol has a molecular weight of 296.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102960923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).