2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol

C14H21FN2O — CID 112606644

IUPAC2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
SMILESCCN1CCCC(NCc2cccc(F)c2O)C1
InChIInChI=1S/C14H21FN2O/c1-2-17-8-4-6-12(10-17)16-9-11-5-3-7-13(15)14(11)18/h3,5,7,12,16,18H,2,4,6,8-10H2,1H3
InChIKeyCQABXSRGORPTBG-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.11
Rot. Bonds4

About 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol

2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol (PubChem CID 112606644) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
PubChem CID112606644
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
SMILESCCN1CCCC(NCc2cccc(F)c2O)C1
InChIInChI=1S/C14H21FN2O/c1-2-17-8-4-6-12(10-17)16-9-11-5-3-7-13(15)14(11)18/h3,5,7,12,16,18H,2,4,6,8-10H2,1H3
InChIKeyCQABXSRGORPTBG-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
3-chloro-2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenol
CID 78959324
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 61171918
N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide
CID 66419821
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
CID 112616106
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol (CID 112606644) is 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol is CCN1CCCC(NCc2cccc(F)c2O)C1.
What is the InChIKey of 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol?
The InChIKey is CQABXSRGORPTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-17-8-4-6-12(10-17)16-9-11-5-3-7-13(15)14(11)18/h3,5,7,12,16,18H,2,4,6,8-10H2,1H3.
What are the key properties of 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol?
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol has a molecular weight of 252.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol is sourced from PubChem (CID 112606644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).