4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine

C12H21F3N2O — CID 113280991

IUPAC4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
SMILESNC1(CN2CCC(C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)10-1-5-17(6-2-10)9-11(16)3-7-18-8-4-11/h10H,1-9,16H2
InChIKeyGBUZIBYXMFIHAR-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.77
Rot. Bonds2

About 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine

4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine (PubChem CID 113280991) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
PubChem CID113280991
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
SMILESNC1(CN2CCC(C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)10-1-5-17(6-2-10)9-11(16)3-7-18-8-4-11/h10H,1-9,16H2
InChIKeyGBUZIBYXMFIHAR-UHFFFAOYSA-N
XLogP1.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine
CID 165128236
2-(Difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine
CID 174172877
2-(Oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362683
[4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 43608708
2-(Oxan-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62387031
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]oxan-4-amine
CID 63100024
N-(oxan-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63727671
2-(Oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 63741288
[2-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110012
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]oxan-3-yl]methanamine
CID 64174314
N-(oxan-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64850220
N-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]oxan-4-amine
CID 65531723

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine?
The IUPAC name of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine (CID 113280991) is 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine?
The canonical SMILES for 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine is NC1(CN2CCC(C(F)(F)F)CC2)CCOCC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine?
The InChIKey is GBUZIBYXMFIHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)10-1-5-17(6-2-10)9-11(16)3-7-18-8-4-11/h10H,1-9,16H2.
What are the key properties of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine?
4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine has a molecular weight of 266.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine is sourced from PubChem (CID 113280991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).