N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine

C14H28F3N3 — CID 43758940

IUPACN,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-13(2,10-19(3)4)9-18-12-5-7-20(8-6-12)11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyHLMRUZQZQMTDPK-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.19
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine (PubChem CID 43758940) has the molecular formula C14H28F3N3 and a molecular weight of 295.39 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine
PubChem CID43758940
Molecular FormulaC14H28F3N3
Molecular Weight295.39 g/mol
Exact Mass295.22
IUPAC NameN,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-13(2,10-19(3)4)9-18-12-5-7-20(8-6-12)11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyHLMRUZQZQMTDPK-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine with MolForge

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Related Compounds

2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563
N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine
CID 62975551
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
N,N-dimethyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
CID 106335729
N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide
CID 104926671
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine
CID 165467374
N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
CID 102676142

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine (CID 43758940) is N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine is CN(C)CC(C)(C)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine?
The InChIKey is HLMRUZQZQMTDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3/c1-13(2,10-19(3)4)9-18-12-5-7-20(8-6-12)11-14(15,16)17/h12,18H,5-11H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine has a molecular weight of 295.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 43758940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).