2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride

C9H18ClF3N2O — CID 155407813

IUPAC2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride
SMILESCl.OCCN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H17F3N2O.ClH/c10-9(11,12)7-14(5-6-15)8-1-3-13-4-2-8;/h8,13,15H,1-7H2;1H
InChIKeyQIDNFHOQNXXHLK-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.02
Rot. Bonds4

About 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride

2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride (PubChem CID 155407813) has the molecular formula C9H18ClF3N2O and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride
PubChem CID155407813
Molecular FormulaC9H18ClF3N2O
Molecular Weight262.70 g/mol
Exact Mass262.11
IUPAC Name2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride
SMILESCl.OCCN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H17F3N2O.ClH/c10-9(11,12)7-14(5-6-15)8-1-3-13-4-2-8;/h8,13,15H,1-7H2;1H
InChIKeyQIDNFHOQNXXHLK-UHFFFAOYSA-N
XLogP1.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride (CID 155407813) is 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride is Cl.OCCN(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride?
The InChIKey is QIDNFHOQNXXHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O.ClH/c10-9(11,12)7-14(5-6-15)8-1-3-13-4-2-8;/h8,13,15H,1-7H2;1H.
What are the key properties of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride?
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride has a molecular weight of 262.70 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 155407813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).