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

C16H23F3N2 — CID 83983209

IUPAC2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCc1ccc(CN2CCC(CNCC(F)(F)F)CC2)cc1
InChIInChI=1S/C16H23F3N2/c1-13-2-4-15(5-3-13)11-21-8-6-14(7-9-21)10-20-12-16(17,18)19/h2-5,14,20H,6-12H2,1H3
InChIKeyPKXPJYZMBXOZIQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.36
Rot. Bonds5

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

2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 83983209) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID83983209
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCc1ccc(CN2CCC(CNCC(F)(F)F)CC2)cc1
InChIInChI=1S/C16H23F3N2/c1-13-2-4-15(5-3-13)11-21-8-6-14(7-9-21)10-20-12-16(17,18)19/h2-5,14,20H,6-12H2,1H3
InChIKeyPKXPJYZMBXOZIQ-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-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate
CID 83983182
2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine
CID 83983142
1-(3-hydroxypropyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 111106672
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine (CID 83983209) is 2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine is Cc1ccc(CN2CCC(CNCC(F)(F)F)CC2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is PKXPJYZMBXOZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-13-2-4-15(5-3-13)11-21-8-6-14(7-9-21)10-20-12-16(17,18)19/h2-5,14,20H,6-12H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[1-[(4-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-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 83983209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).