3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol

C17H27FN2O — CID 107720853

IUPAC3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
SMILESCC(C)N(CC1CCCCN1)C(C)c1ccc(O)cc1F
InChIInChI=1S/C17H27FN2O/c1-12(2)20(11-14-6-4-5-9-19-14)13(3)16-8-7-15(21)10-17(16)18/h7-8,10,12-14,19,21H,4-6,9,11H2,1-3H3
InChIKeyJJTFXWTXXBYOJO-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.44
Rot. Bonds5

About 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol

3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol (PubChem CID 107720853) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
PubChem CID107720853
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
SMILESCC(C)N(CC1CCCCN1)C(C)c1ccc(O)cc1F
InChIInChI=1S/C17H27FN2O/c1-12(2)20(11-14-6-4-5-9-19-14)13(3)16-8-7-15(21)10-17(16)18/h7-8,10,12-14,19,21H,4-6,9,11H2,1-3H3
InChIKeyJJTFXWTXXBYOJO-UHFFFAOYSA-N
XLogP3.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
4-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 106602925
2-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106603167
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622086
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622422
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603186
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
CID 106622229
1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106622166
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 107355089

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol (CID 107720853) is 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol is CC(C)N(CC1CCCCN1)C(C)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol?
The InChIKey is JJTFXWTXXBYOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-12(2)20(11-14-6-4-5-9-19-14)13(3)16-8-7-15(21)10-17(16)18/h7-8,10,12-14,19,21H,4-6,9,11H2,1-3H3.
What are the key properties of 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol?
3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol has a molecular weight of 294.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 107720853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).