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

C14H25F3N2O — CID 83992583

IUPAC1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(CC2CCC2)C1
InChIInChI=1S/C14H25F3N2O/c1-10(20)12-5-13(18-9-14(15,16)17)8-19(7-12)6-11-3-2-4-11/h10-13,18,20H,2-9H2,1H3
InChIKeyGSFASMUDCNFCDG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.01
Rot. Bonds5

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

1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992583) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992583
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(CC2CCC2)C1
InChIInChI=1S/C14H25F3N2O/c1-10(20)12-5-13(18-9-14(15,16)17)8-19(7-12)6-11-3-2-4-11/h10-13,18,20H,2-9H2,1H3
InChIKeyGSFASMUDCNFCDG-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992572
1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992539
1-[1-(cyclobutylmethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996736
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339
1-(cyclopropylmethyl)-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992525
1-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83994912
1-[1-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992705
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993221
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83997610
1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992553
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol
CID 110019671

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992583) is 1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NCC(F)(F)F)CN(CC2CCC2)C1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is GSFASMUDCNFCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-10(20)12-5-13(18-9-14(15,16)17)8-19(7-12)6-11-3-2-4-11/h10-13,18,20H,2-9H2,1H3.
What are the key properties of 1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 294.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).