1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol

C15H23FN2O — CID 114679351

IUPAC1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol
SMILESCCNCc1ccc(N2CCC(O)C(C)C2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-3-17-9-12-4-5-14(13(16)8-12)18-7-6-15(19)11(2)10-18/h4-5,8,11,15,17,19H,3,6-7,9-10H2,1-2H3
InChIKeyMEYKVSFZBRQUKZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.14
Rot. Bonds4

About 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol

1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol (PubChem CID 114679351) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol
PubChem CID114679351
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol
SMILESCCNCc1ccc(N2CCC(O)C(C)C2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-3-17-9-12-4-5-14(13(16)8-12)18-7-6-15(19)11(2)10-18/h4-5,8,11,15,17,19H,3,6-7,9-10H2,1-2H3
InChIKeyMEYKVSFZBRQUKZ-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 102961339
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-fluorophenyl]methyl]ethanamine
CID 43620596
N-[[3-fluoro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499514
N-[[3-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]ethanamine
CID 64598197
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960923
1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
CID 102960877
1-[2,6-difluoro-4-(propylaminomethyl)phenyl]-3-methylpiperidin-4-ol
CID 114679353
3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
CID 114679400
7-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096421
1-[2-chloro-4-(ethylaminomethyl)phenyl]pyrrolidin-3-ol
CID 81148887
3-fluoro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzonitrile
CID 114678508
N,N-diethyl-1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63164577

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol (CID 114679351) is 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol is CCNCc1ccc(N2CCC(O)C(C)C2)c(F)c1.
What is the InChIKey of 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol?
The InChIKey is MEYKVSFZBRQUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-17-9-12-4-5-14(13(16)8-12)18-7-6-15(19)11(2)10-18/h4-5,8,11,15,17,19H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol?
1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol has a molecular weight of 266.36 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 1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).