[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol

C16H25FN2O — CID 43590374

IUPAC[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol
SMILESCCNC(C)c1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-18-12(2)14-6-7-16(15(17)9-14)19-8-4-5-13(10-19)11-20/h6-7,9,12-13,18,20H,3-5,8,10-11H2,1-2H3
InChIKeyJQKCYSIDJXSZBD-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.70
Rot. Bonds5

About [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol

[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol (PubChem CID 43590374) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol
PubChem CID43590374
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol
SMILESCCNC(C)c1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-18-12(2)14-6-7-16(15(17)9-14)19-8-4-5-13(10-19)11-20/h6-7,9,12-13,18,20H,3-5,8,10-11H2,1-2H3
InChIKeyJQKCYSIDJXSZBD-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.70
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
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 44574739
2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925826
N-(4-{[3-(2-hydroxyethyl)-4-(3-methyl-2-buten-1-yl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16187341
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-(3-methylbutyl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16190910
N-(4-{[4-(3,4-difluorobenzyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16188667
N-(4-{[3-(2-hydroxyethyl)-4-isobutylpiperazin-1-yl]methyl}phenyl)acetamide
CID 16188827

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol (CID 43590374) is [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol is CCNC(C)c1ccc(N2CCCC(CO)C2)c(F)c1.
What is the InChIKey of [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol?
The InChIKey is JQKCYSIDJXSZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-18-12(2)14-6-7-16(15(17)9-14)19-8-4-5-13(10-19)11-20/h6-7,9,12-13,18,20H,3-5,8,10-11H2,1-2H3.
What are the key properties of [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol?
[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol has a molecular weight of 280.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).