ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine

C17H37F3N2 — CID 143709401

IUPACethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine
SMILESCC.CC.CC1CCNCC1.CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3N.C6H13N.2C2H6/c1-11-4-2-6(3-5-11)7(8,9)10;1-6-2-4-7-5-3-6;2*1-2/h6H,2-5H2,1H3;6-7H,2-5H2,1H3;2*1-2H3
InChIKeyAQFDXJOOANADTB-UHFFFAOYSA-N
MW326.49 g/mol
LogP4.95
Rot. Bonds

About ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine

ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine (PubChem CID 143709401) has the molecular formula C17H37F3N2 and a molecular weight of 326.49 g/mol. Its IUPAC name is ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Nameethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine
PubChem CID143709401
Molecular FormulaC17H37F3N2
Molecular Weight326.49 g/mol
Exact Mass326.29
IUPAC Nameethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine
SMILESCC.CC.CC1CCNCC1.CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3N.C6H13N.2C2H6/c1-11-4-2-6(3-5-11)7(8,9)10;1-6-2-4-7-5-3-6;2*1-2/h6H,2-5H2,1H3;6-7H,2-5H2,1H3;2*1-2H3
InChIKeyAQFDXJOOANADTB-UHFFFAOYSA-N
XLogP4.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(piperidin-4-ylmethyl)butane-1,4-diamine
CID 9882218
N,N'-bis(2-piperidin-4-ylethyl)butane-1,4-diamine
CID 9818175
1-(2,2-difluoroethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]piperidin-4-amine
CID 84589296
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55219725
4-Piperidin-4-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 57848405
2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 60891390
1-(Piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidine
CID 61686199
N-[(1-ethylpiperidin-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 61789910
N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
CID 62325447
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine
CID 62326719
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591699
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62592217

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine?
The IUPAC name of ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine (CID 143709401) is ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine is CC.CC.CC1CCNCC1.CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine?
The InChIKey is AQFDXJOOANADTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N.C6H13N.2C2H6/c1-11-4-2-6(3-5-11)7(8,9)10;1-6-2-4-7-5-3-6;2*1-2/h6H,2-5H2,1H3;6-7H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine?
ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine has a molecular weight of 326.49 g/mol, XLogP of 4.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylpiperidine;1-methyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 143709401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).