4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide

C16H29F3N4 — CID 111752905

IUPAC4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C16H29F3N4/c1-13-3-10-23(11-4-13)15(20)21-7-2-14-5-8-22(9-6-14)12-16(17,18)19/h13-14H,2-12H2,1H3,(H2,20,21)
InChIKeyMIAIAUWIOJBQGM-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.70
Rot. Bonds4

About 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide

4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide (PubChem CID 111752905) has the molecular formula C16H29F3N4 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
PubChem CID111752905
Molecular FormulaC16H29F3N4
Molecular Weight334.43 g/mol
Exact Mass334.23
IUPAC Name4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C16H29F3N4/c1-13-3-10-23(11-4-13)15(20)21-7-2-14-5-8-22(9-6-14)12-16(17,18)19/h13-14H,2-12H2,1H3,(H2,20,21)
InChIKeyMIAIAUWIOJBQGM-UHFFFAOYSA-N
XLogP2.70
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide
CID 71978851
1-cyclopropyl-1-methyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 110031468
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
1-(1-methoxypropan-2-yl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111822494
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
1-prop-2-enyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 136921209
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111109646

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide (CID 111752905) is 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCC2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide?
The InChIKey is MIAIAUWIOJBQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N4/c1-13-3-10-23(11-4-13)15(20)21-7-2-14-5-8-22(9-6-14)12-16(17,18)19/h13-14H,2-12H2,1H3,(H2,20,21).
What are the key properties of 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide?
4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide has a molecular weight of 334.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111752905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).