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

C11H23F3N2O — CID 144801803

IUPACethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCC.OCC1(CNCC(F)(F)F)CCNCC1
InChIInChI=1S/C9H17F3N2O.C2H6/c10-9(11,12)6-14-5-8(7-15)1-3-13-4-2-8;1-2/h13-15H,1-7H2;1-2H3
InChIKeyDJROZLBWTIUMID-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.53
Rot. Bonds4

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

ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol (PubChem CID 144801803) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
PubChem CID144801803
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Nameethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCC.OCC1(CNCC(F)(F)F)CCNCC1
InChIInChI=1S/C9H17F3N2O.C2H6/c10-9(11,12)6-14-5-8(7-15)1-3-13-4-2-8;1-2/h13-15H,1-7H2;1-2H3
InChIKeyDJROZLBWTIUMID-UHFFFAOYSA-N
XLogP1.53
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The IUPAC name of ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol (CID 144801803) is ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The canonical SMILES for ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol is CC.OCC1(CNCC(F)(F)F)CCNCC1.
What is the InChIKey of ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The InChIKey is DJROZLBWTIUMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O.C2H6/c10-9(11,12)6-14-5-8(7-15)1-3-13-4-2-8;1-2/h13-15H,1-7H2;1-2H3.
What are the key properties of ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol has a molecular weight of 256.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 144801803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).