[1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol

C15H23FN2O — CID 43590373

IUPAC[1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
SMILESCNC(C)c1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(17-2)13-5-6-15(14(16)8-13)18-7-3-4-12(9-18)10-19/h5-6,8,11-12,17,19H,3-4,7,9-10H2,1-2H3
InChIKeyCKVHZIRSYVEURT-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.31
Rot. Bonds4

About [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol

[1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol (PubChem CID 43590373) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
PubChem CID43590373
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
SMILESCNC(C)c1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(17-2)13-5-6-15(14(16)8-13)18-7-3-4-12(9-18)10-19/h5-6,8,11-12,17,19H,3-4,7,9-10H2,1-2H3
InChIKeyCKVHZIRSYVEURT-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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

(R)-2-amino-3-(4-octylphenylamino)propan-1-ol
CID 45255203
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 3748241
2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925826
4-[2-[[4-(Dimethylamino)phenyl]methylamino]ethyl]-2,2-dimethyl-4-oxanol
CID 646846
1-(4-(Aminomethyl)phenyl)piperidin-4-ol
CID 28409679
1-[2-(1-Aminoethyl)-4-fluorophenyl]piperidin-4-ol
CID 43188858
N-(4-{[3-(2-hydroxyethyl)-4-isobutylpiperazin-1-yl]methyl}phenyl)acetamide
CID 16188827
3-Amino-4-(4-octylphenylamino)butan-1-ol
CID 45256386
(8-Fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanol
CID 24265810
1-[4-(Aminomethyl)-2-fluorophenyl]piperidin-4-ol
CID 28965230
2-(4-Dimethylamino-benzylamino)-ethanol
CID 411277
{1-[4-(Aminomethyl)phenyl]piperidin-4-yl}methanol
CID 1472924

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol (CID 43590373) is [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol is CNC(C)c1ccc(N2CCCC(CO)C2)c(F)c1.
What is the InChIKey of [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol?
The InChIKey is CKVHZIRSYVEURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17-2)13-5-6-15(14(16)8-13)18-7-3-4-12(9-18)10-19/h5-6,8,11-12,17,19H,3-4,7,9-10H2,1-2H3.
What are the key properties of [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol?
[1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).