1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine

C16H23F3N2 — CID 43435870

IUPAC1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(CN1CCCCC1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-13(12-21-9-5-2-6-10-21)20-11-14-7-3-4-8-15(14)16(17,18)19/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3
InChIKeyBCUGFISDOPEUKC-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.67
Rot. Bonds5

About 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine

1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 43435870) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID43435870
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(CN1CCCCC1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-13(12-21-9-5-2-6-10-21)20-11-14-7-3-4-8-15(14)16(17,18)19/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3
InChIKeyBCUGFISDOPEUKC-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43791734
2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60697098
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-[(2-fluoro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107349047
N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
(2S)-4-[(R)-methylsulfinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 95975680
4-ethylsulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 115907731
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 43435870) is 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine is CC(CN1CCCCC1)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is BCUGFISDOPEUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-13(12-21-9-5-2-6-10-21)20-11-14-7-3-4-8-15(14)16(17,18)19/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3.
What are the key properties of 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 300.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43435870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).