3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine

C22H27F3N2 — CID 58788403

IUPAC3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine
SMILESFC(F)(F)c1ccc(-c2ccc(CNCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27F3N2/c23-22(24,25)21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-26-13-4-16-27-14-2-1-3-15-27/h5-12,26H,1-4,13-17H2
InChIKeyJGTRCCAUXZPFLN-UHFFFAOYSA-N
MW376.47 g/mol
LogP5.34
Rot. Bonds7

About 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine

3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine (PubChem CID 58788403) has the molecular formula C22H27F3N2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine
PubChem CID58788403
Molecular FormulaC22H27F3N2
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine
SMILESFC(F)(F)c1ccc(-c2ccc(CNCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27F3N2/c23-22(24,25)21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-26-13-4-16-27-14-2-1-3-15-27/h5-12,26H,1-4,13-17H2
InChIKeyJGTRCCAUXZPFLN-UHFFFAOYSA-N
XLogP5.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 62646483
3-(4-methylazepan-1-yl)-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142025150
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine (CID 58788403) is 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine is FC(F)(F)c1ccc(-c2ccc(CNCCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine?
The InChIKey is JGTRCCAUXZPFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2/c23-22(24,25)21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-26-13-4-16-27-14-2-1-3-15-27/h5-12,26H,1-4,13-17H2.
What are the key properties of 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine?
3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine has a molecular weight of 376.47 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 58788403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).