1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol

C17H21FN2OS — CID 110905906

IUPAC1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(CNCc3cccs3)cc2F)CC1
InChIInChI=1S/C17H21FN2OS/c18-16-10-13(11-19-12-15-2-1-9-22-15)3-4-17(16)20-7-5-14(21)6-8-20/h1-4,9-10,14,19,21H,5-8,11-12H2
InChIKeyHFOGUSGRQZOYQL-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.14
Rot. Bonds5

About 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol

1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol (PubChem CID 110905906) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
PubChem CID110905906
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(CNCc3cccs3)cc2F)CC1
InChIInChI=1S/C17H21FN2OS/c18-16-10-13(11-19-12-15-2-1-9-22-15)3-4-17(16)20-7-5-14(21)6-8-20/h1-4,9-10,14,19,21H,5-8,11-12H2
InChIKeyHFOGUSGRQZOYQL-UHFFFAOYSA-N
XLogP3.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-fluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]piperidin-4-ol
CID 47625289
1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol
CID 47625369
1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 56796904
1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
CID 84748130
2-(4-hydroxypiperidin-1-yl)-5-(thiophen-2-ylmethylamino)benzonitrile
CID 111469503
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
N-[[3-fluoro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499514
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
CID 109397854
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol
CID 114679351

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol (CID 110905906) is 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol is OC1CCN(c2ccc(CNCc3cccs3)cc2F)CC1.
What is the InChIKey of 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol?
The InChIKey is HFOGUSGRQZOYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c18-16-10-13(11-19-12-15-2-1-9-22-15)3-4-17(16)20-7-5-14(21)6-8-20/h1-4,9-10,14,19,21H,5-8,11-12H2.
What are the key properties of 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol?
1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol has a molecular weight of 320.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 110905906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).