2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine

C14H27F3N4 — CID 109474807

IUPAC2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCC(F)(F)F)NCC(C)N1CCCCC1C
InChIInChI=1S/C14H27F3N4/c1-11-6-4-5-9-21(11)12(2)10-20-13(18-3)19-8-7-14(15,16)17/h11-12H,4-10H2,1-3H3,(H2,18,19,20)
InChIKeyLIONEVSGNFOSEO-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.37
Rot. Bonds5

About 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine

2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109474807) has the molecular formula C14H27F3N4 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109474807
Molecular FormulaC14H27F3N4
Molecular Weight308.39 g/mol
Exact Mass308.22
IUPAC Name2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCC(F)(F)F)NCC(C)N1CCCCC1C
InChIInChI=1S/C14H27F3N4/c1-11-6-4-5-9-21(11)12(2)10-20-13(18-3)19-8-7-14(15,16)17/h11-12H,4-10H2,1-3H3,(H2,18,19,20)
InChIKeyLIONEVSGNFOSEO-UHFFFAOYSA-N
XLogP2.37
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoroethyl)-1-hexan-3-yl-4,5-dihydroimidazol-2-amine
CID 146245885
N'-[1-[[(3S,4S)-3-aminopiperidin-4-yl]amino]ethenyl]-N-methyl-N-(1,1,1-trifluoropropan-2-yl)methanimidamide
CID 173710790
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 176520832
N-[N'-(3,3-difluorohexyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 176531045
N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967430
2-Methyl-1-(3-piperidin-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 84584164
2-Methyl-1-(3-piperidin-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 84584165
2-methyl-1-(3-piperidin-1-ylpropyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 97214100
2-methyl-1-(3-piperidin-1-ylpropyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 97214101
7-Methyl-5-(trifluoromethyl)-2H,3H,5H,6H,7H,8H-imidazo[1,2-a]pyrimidine
CID 103314763
N'-methyl-N-(2-propylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376058
N'-methyl-N-(2-propylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine (CID 109474807) is 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(\NCCC(F)(F)F)NCC(C)N1CCCCC1C.
What is the InChIKey of 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is LIONEVSGNFOSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N4/c1-11-6-4-5-9-21(11)12(2)10-20-13(18-3)19-8-7-14(15,16)17/h11-12H,4-10H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine?
2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 308.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109474807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).