2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate

C14H21F3N4O2 — CID 91660942

IUPAC2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-20(2)13(22)23-8-7-21-5-3-10(4-6-21)12-18-9-11(19-12)14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyVDWMRHAAIBPHSQ-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.31
Rot. Bonds4

About 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate

2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate (PubChem CID 91660942) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate
PubChem CID91660942
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-20(2)13(22)23-8-7-21-5-3-10(4-6-21)12-18-9-11(19-12)14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyVDWMRHAAIBPHSQ-UHFFFAOYSA-N
XLogP2.31
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate?
The IUPAC name of 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate (CID 91660942) is 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate is CN(C)C(=O)OCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate?
The InChIKey is VDWMRHAAIBPHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-20(2)13(22)23-8-7-21-5-3-10(4-6-21)12-18-9-11(19-12)14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate?
2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate has a molecular weight of 334.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 91660942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).