N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine

C14H23F3N4 — CID 56788085

IUPACN,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
SMILESCN(C)CC1CCN(Cc2nccn2CC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4/c1-19(2)9-12-3-6-20(7-4-12)10-13-18-5-8-21(13)11-14(15,16)17/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyURUDDNWEGSQIFH-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.22
Rot. Bonds5

About N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine

N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine (PubChem CID 56788085) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
PubChem CID56788085
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
SMILESCN(C)CC1CCN(Cc2nccn2CC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4/c1-19(2)9-12-3-6-20(7-4-12)10-13-18-5-8-21(13)11-14(15,16)17/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyURUDDNWEGSQIFH-UHFFFAOYSA-N
XLogP2.22
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine (CID 56788085) is N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine is CN(C)CC1CCN(Cc2nccn2CC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine?
The InChIKey is URUDDNWEGSQIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-19(2)9-12-3-6-20(7-4-12)10-13-18-5-8-21(13)11-14(15,16)17/h5,8,12H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine has a molecular weight of 304.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 56788085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).