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

C13H29F3N2O — CID 144801852

IUPACethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCC.CC.OCC1(CNCC(F)(F)F)CCNCC1
InChIInChI=1S/C9H17F3N2O.2C2H6/c10-9(11,12)6-14-5-8(7-15)1-3-13-4-2-8;2*1-2/h13-15H,1-7H2;2*1-2H3
InChIKeyKEHFUDPFWYYTQE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.55
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 144801852) has the molecular formula C13H29F3N2O and a molecular weight of 286.38 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 CID144801852
Molecular FormulaC13H29F3N2O
Molecular Weight286.38 g/mol
Exact Mass286.22
IUPAC Nameethane;[4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCC.CC.OCC1(CNCC(F)(F)F)CCNCC1
InChIInChI=1S/C9H17F3N2O.2C2H6/c10-9(11,12)6-14-5-8(7-15)1-3-13-4-2-8;2*1-2/h13-15H,1-7H2;2*1-2H3
InChIKeyKEHFUDPFWYYTQE-UHFFFAOYSA-N
XLogP2.55
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.55
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 144801852) 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.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 KEHFUDPFWYYTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O.2C2H6/c10-9(11,12)6-14-5-8(7-15)1-3-13-4-2-8;2*1-2/h13-15H,1-7H2;2*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 286.38 g/mol, XLogP of 2.55, 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 144801852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).