1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol

C14H20F2N2O — CID 86716181

IUPAC1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(C2(CN)CCC(F)(F)CC2)cn1
InChIInChI=1S/C14H20F2N2O/c1-10(19)12-3-2-11(8-18-12)13(9-17)4-6-14(15,16)7-5-13/h2-3,8,10,19H,4-7,9,17H2,1H3
InChIKeyHBQOFVNAAIJYBA-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.54
Rot. Bonds3

About 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol

1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol (PubChem CID 86716181) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol
PubChem CID86716181
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(C2(CN)CCC(F)(F)CC2)cn1
InChIInChI=1S/C14H20F2N2O/c1-10(19)12-3-2-11(8-18-12)13(9-17)4-6-14(15,16)7-5-13/h2-3,8,10,19H,4-7,9,17H2,1H3
InChIKeyHBQOFVNAAIJYBA-UHFFFAOYSA-N
XLogP2.54
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol (CID 86716181) is 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol is CC(O)c1ccc(C2(CN)CCC(F)(F)CC2)cn1.
What is the InChIKey of 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol?
The InChIKey is HBQOFVNAAIJYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10(19)12-3-2-11(8-18-12)13(9-17)4-6-14(15,16)7-5-13/h2-3,8,10,19H,4-7,9,17H2,1H3.
What are the key properties of 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol?
1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol has a molecular weight of 270.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(aminomethyl)-4,4-difluorocyclohexyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 86716181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).