[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol

C15H23FN2O — CID 55004619

IUPAC[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
SMILESCCN1CCC(N(C)c2ccc(F)cc2CO)CC1
InChIInChI=1S/C15H23FN2O/c1-3-18-8-6-14(7-9-18)17(2)15-5-4-13(16)10-12(15)11-19/h4-5,10,14,19H,3,6-9,11H2,1-2H3
InChIKeyTXGMGSJGGINWTF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.24
Rot. Bonds4

About [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol

[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol (PubChem CID 55004619) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
PubChem CID55004619
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
SMILESCCN1CCC(N(C)c2ccc(F)cc2CO)CC1
InChIInChI=1S/C15H23FN2O/c1-3-18-8-6-14(7-9-18)17(2)15-5-4-13(16)10-12(15)11-19/h4-5,10,14,19H,3,6-9,11H2,1-2H3
InChIKeyTXGMGSJGGINWTF-UHFFFAOYSA-N
XLogP2.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 55004013
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104
1-N-(1-ethylpiperidin-4-yl)-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66093142
N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 103958750

Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol?
The IUPAC name of [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol (CID 55004619) is [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol is CCN1CCC(N(C)c2ccc(F)cc2CO)CC1.
What is the InChIKey of [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol?
The InChIKey is TXGMGSJGGINWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18-8-6-14(7-9-18)17(2)15-5-4-13(16)10-12(15)11-19/h4-5,10,14,19H,3,6-9,11H2,1-2H3.
What are the key properties of [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol?
[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol is sourced from PubChem (CID 55004619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).