N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine

C14H23F3N4 — CID 142493156

IUPACN,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine
SMILESCN(C)Cc1cn(C2CCNCC2)c(CCC(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-20(2)9-11-10-21(12-4-7-18-8-5-12)13(19-11)3-6-14(15,16)17/h10,12,18H,3-9H2,1-2H3
InChIKeyHJLMMIFEJUUGHR-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.36
Rot. Bonds5

About N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine

N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine (PubChem CID 142493156) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine
PubChem CID142493156
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine
SMILESCN(C)Cc1cn(C2CCNCC2)c(CCC(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-20(2)9-11-10-21(12-4-7-18-8-5-12)13(19-11)3-6-14(15,16)17/h10,12,18H,3-9H2,1-2H3
InChIKeyHJLMMIFEJUUGHR-UHFFFAOYSA-N
XLogP2.36
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(3,3-difluorocyclopentyl)-6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817325
5H,6H,7H,8H-imidazo(1,2-a)pyridin-2-ylmethanamine
CID 47003215
2-(Piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 57786821
{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-ylmethyl}(methyl)amine
CID 82596909
2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine
CID 14719928
3-Methyl-5,6,7,8-tetrahydroimidazo(1,5-a)pyrazine
CID 20825880
3-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,5-a)pyrazine
CID 34176314
2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-amine
CID 43370280
8-methyl-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 45480427
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 59746123
3-(difluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
CID 165951141

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine (CID 142493156) is N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine is CN(C)Cc1cn(C2CCNCC2)c(CCC(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine?
The InChIKey is HJLMMIFEJUUGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-20(2)9-11-10-21(12-4-7-18-8-5-12)13(19-11)3-6-14(15,16)17/h10,12,18H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine?
N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine has a molecular weight of 304.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-piperidin-4-yl-2-(3,3,3-trifluoropropyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 142493156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).