2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

C13H25F3N2O — CID 83992175

IUPAC2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCCCN1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-2-3-5-18-8-11(4-6-19)7-12(9-18)17-10-13(14,15)16/h11-12,17,19H,2-10H2,1H3
InChIKeyVMYODHVBCKNFFE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds7

About 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992175) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992175
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCCCN1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-2-3-5-18-8-11(4-6-19)7-12(9-18)17-10-13(14,15)16/h11-12,17,19H,2-10H2,1H3
InChIKeyVMYODHVBCKNFFE-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992169
2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992721
3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992872
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide
CID 83992738
1-(cyclopropylmethyl)-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992525
2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992518
1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992094
3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992434
5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992442
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992175) is 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CCCCN1CC(CCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is VMYODHVBCKNFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-3-5-18-8-11(4-6-19)7-12(9-18)17-10-13(14,15)16/h11-12,17,19H,2-10H2,1H3.
What are the key properties of 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).