2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol

C14H20F2N2O — CID 81294625

IUPAC2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol
SMILESNCc1cc(F)c(N2CCCCC2CCO)c(F)c1
InChIInChI=1S/C14H20F2N2O/c15-12-7-10(9-17)8-13(16)14(12)18-5-2-1-3-11(18)4-6-19/h7-8,11,19H,1-6,9,17H2
InChIKeyDRYFPNJHJCGHEN-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.16
Rot. Bonds4

About 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol

2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol (PubChem CID 81294625) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol
PubChem CID81294625
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol
SMILESNCc1cc(F)c(N2CCCCC2CCO)c(F)c1
InChIInChI=1S/C14H20F2N2O/c15-12-7-10(9-17)8-13(16)14(12)18-5-2-1-3-11(18)4-6-19/h7-8,11,19H,1-6,9,17H2
InChIKeyDRYFPNJHJCGHEN-UHFFFAOYSA-N
XLogP2.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol (CID 81294625) is 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol is NCc1cc(F)c(N2CCCCC2CCO)c(F)c1.
What is the InChIKey of 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol?
The InChIKey is DRYFPNJHJCGHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c15-12-7-10(9-17)8-13(16)14(12)18-5-2-1-3-11(18)4-6-19/h7-8,11,19H,1-6,9,17H2.
What are the key properties of 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol?
2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol has a molecular weight of 270.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 81294625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).