2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine

C16H23F3N2 — CID 83983429

IUPAC2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCc1cccc(CN2CCC(CNCC(F)(F)F)CC2)c1
InChIInChI=1S/C16H23F3N2/c1-13-3-2-4-15(9-13)11-21-7-5-14(6-8-21)10-20-12-16(17,18)19/h2-4,9,14,20H,5-8,10-12H2,1H3
InChIKeyPLBHEJSZVCVOQZ-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.36
Rot. Bonds5

About 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 83983429) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID83983429
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCc1cccc(CN2CCC(CNCC(F)(F)F)CC2)c1
InChIInChI=1S/C16H23F3N2/c1-13-3-2-4-15(9-13)11-21-7-5-14(6-8-21)10-20-12-16(17,18)19/h2-4,9,14,20H,5-8,10-12H2,1H3
InChIKeyPLBHEJSZVCVOQZ-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983209
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 67821615
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609193
1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 83980891
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine (CID 83983429) is 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine is Cc1cccc(CN2CCC(CNCC(F)(F)F)CC2)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is PLBHEJSZVCVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-13-3-2-4-15(9-13)11-21-7-5-14(6-8-21)10-20-12-16(17,18)19/h2-4,9,14,20H,5-8,10-12H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 300.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 83983429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).