4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol

C15H23FN2O — CID 107720769

IUPAC4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol
SMILESCC1CCCC(CN)N1C(C)c1ccc(O)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-4-3-5-12(9-17)18(10)11(2)14-7-6-13(19)8-15(14)16/h6-8,10-12,19H,3-5,9,17H2,1-2H3
InChIKeyRFSQPDUULOJTSQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.79
Rot. Bonds3

About 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol

4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol (PubChem CID 107720769) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol
PubChem CID107720769
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol
SMILESCC1CCCC(CN)N1C(C)c1ccc(O)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-4-3-5-12(9-17)18(10)11(2)14-7-6-13(19)8-15(14)16/h6-8,10-12,19H,3-5,9,17H2,1-2H3
InChIKeyRFSQPDUULOJTSQ-UHFFFAOYSA-N
XLogP2.79
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-3-fluorophenol
CID 107720941
4-[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-3-fluorophenol
CID 107720997
4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol
CID 82974788
2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
CID 104969310
4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol
CID 107721132
4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol
CID 107721149
3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
CID 107715127
3-fluoro-4-[1-[(3-methylcyclohexyl)amino]ethyl]phenol
CID 107714719
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol
CID 107721087
2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid
CID 107720928
4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
CID 131064756

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol (CID 107720769) is 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol is CC1CCCC(CN)N1C(C)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol?
The InChIKey is RFSQPDUULOJTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-4-3-5-12(9-17)18(10)11(2)14-7-6-13(19)8-15(14)16/h6-8,10-12,19H,3-5,9,17H2,1-2H3.
What are the key properties of 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol?
4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol has a molecular weight of 266.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol is sourced from PubChem (CID 107720769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).