[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride

C8H17Cl2F3N2O — CID 71757812

IUPAC[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride
SMILESCl.Cl.OCC1(NCC(F)(F)F)CCNCC1
InChIInChI=1S/C8H15F3N2O.2ClH/c9-8(10,11)5-13-7(6-14)1-3-12-4-2-7;;/h12-14H,1-6H2;2*1H
InChIKeyZOHUNVSFRRQAOY-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.10
Rot. Bonds3

About [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride

[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride (PubChem CID 71757812) has the molecular formula C8H17Cl2F3N2O and a molecular weight of 285.14 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride
PubChem CID71757812
Molecular FormulaC8H17Cl2F3N2O
Molecular Weight285.14 g/mol
Exact Mass284.07
IUPAC Name[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride
SMILESCl.Cl.OCC1(NCC(F)(F)F)CCNCC1
InChIInChI=1S/C8H15F3N2O.2ClH/c9-8(10,11)5-13-7(6-14)1-3-12-4-2-7;;/h12-14H,1-6H2;2*1H
InChIKeyZOHUNVSFRRQAOY-UHFFFAOYSA-N
XLogP1.10
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride?
The IUPAC name of [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride (CID 71757812) is [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride.
What is the SMILES notation for [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride?
The canonical SMILES for [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride is Cl.Cl.OCC1(NCC(F)(F)F)CCNCC1.
What is the InChIKey of [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride?
The InChIKey is ZOHUNVSFRRQAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O.2ClH/c9-8(10,11)5-13-7(6-14)1-3-12-4-2-7;;/h12-14H,1-6H2;2*1H.
What are the key properties of [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride?
[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride has a molecular weight of 285.14 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol;dihydrochloride is sourced from PubChem (CID 71757812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).