1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol

C14H28FN3O — CID 155219263

IUPAC1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol
SMILESCCN1CCC(NC2CCN(C(O)CF)CC2)CC1
InChIInChI=1S/C14H28FN3O/c1-2-17-7-3-12(4-8-17)16-13-5-9-18(10-6-13)14(19)11-15/h12-14,16,19H,2-11H2,1H3
InChIKeyJAAHDHUNEXTYLZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.81
Rot. Bonds5

About 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol

1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol (PubChem CID 155219263) has the molecular formula C14H28FN3O and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol.

Molecular Properties

Compound Name1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol
PubChem CID155219263
Molecular FormulaC14H28FN3O
Molecular Weight273.40 g/mol
Exact Mass273.22
IUPAC Name1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol
SMILESCCN1CCC(NC2CCN(C(O)CF)CC2)CC1
InChIInChI=1S/C14H28FN3O/c1-2-17-7-3-12(4-8-17)16-13-5-9-18(10-6-13)14(19)11-15/h12-14,16,19H,2-11H2,1H3
InChIKeyJAAHDHUNEXTYLZ-UHFFFAOYSA-N
XLogP0.81
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol?
The IUPAC name of 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol (CID 155219263) is 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol.
What is the SMILES notation for 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol?
The canonical SMILES for 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol is CCN1CCC(NC2CCN(C(O)CF)CC2)CC1.
What is the InChIKey of 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol?
The InChIKey is JAAHDHUNEXTYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN3O/c1-2-17-7-3-12(4-8-17)16-13-5-9-18(10-6-13)14(19)11-15/h12-14,16,19H,2-11H2,1H3.
What are the key properties of 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol?
1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol has a molecular weight of 273.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylpiperidin-4-yl)amino]piperidin-1-yl]-2-fluoroethanol is sourced from PubChem (CID 155219263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).