2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol

C14H21FN2O — CID 64795007

IUPAC2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
SMILESCC(Nc1ccc(O)c(F)c1)C1CCCN(C)C1
InChIInChI=1S/C14H21FN2O/c1-10(11-4-3-7-17(2)9-11)16-12-5-6-14(18)13(15)8-12/h5-6,8,10-11,16,18H,3-4,7,9H2,1-2H3
InChIKeyOVKNNEYXMJBFBK-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.67
Rot. Bonds3

About 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol

2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol (PubChem CID 64795007) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
PubChem CID64795007
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
SMILESCC(Nc1ccc(O)c(F)c1)C1CCCN(C)C1
InChIInChI=1S/C14H21FN2O/c1-10(11-4-3-7-17(2)9-11)16-12-5-6-14(18)13(15)8-12/h5-6,8,10-11,16,18H,3-4,7,9H2,1-2H3
InChIKeyOVKNNEYXMJBFBK-UHFFFAOYSA-N
XLogP2.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-3-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 60943233
2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide
CID 43705145
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
N-[1-(1-methylpiperidin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43307584
2-chloro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43686795
N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43690136
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol?
The IUPAC name of 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol (CID 64795007) is 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol?
The canonical SMILES for 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol is CC(Nc1ccc(O)c(F)c1)C1CCCN(C)C1.
What is the InChIKey of 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol?
The InChIKey is OVKNNEYXMJBFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(11-4-3-7-17(2)9-11)16-12-5-6-14(18)13(15)8-12/h5-6,8,10-11,16,18H,3-4,7,9H2,1-2H3.
What are the key properties of 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol?
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol has a molecular weight of 252.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol is sourced from PubChem (CID 64795007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).