3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol

C12H21F3N2O — CID 66004496

IUPAC3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNC2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)8-17-3-1-10(2-4-17)16-7-9-5-11(18)6-9/h9-11,16,18H,1-8H2
InChIKeyUXKDTGDLFSVFAY-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.37
Rot. Bonds4

About 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol

3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 66004496) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID66004496
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNC2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)8-17-3-1-10(2-4-17)16-7-9-5-11(18)6-9/h9-11,16,18H,1-8H2
InChIKeyUXKDTGDLFSVFAY-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol
CID 106594762
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine
CID 79462149
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80599968
methyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60782427
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 103271380
4-[(3-hydroxycyclobutyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261087
3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 104844751

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol (CID 66004496) is 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol is OC1CC(CNC2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is UXKDTGDLFSVFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)8-17-3-1-10(2-4-17)16-7-9-5-11(18)6-9/h9-11,16,18H,1-8H2.
What are the key properties of 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 266.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).