1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine

C16H23F3N2 — CID 86809048

IUPAC1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
SMILESCC(CN1CCCCC1)NC(C)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H23F3N2/c1-11(10-21-6-4-3-5-7-21)20-12(2)13-8-14(17)16(19)15(18)9-13/h8-9,11-12,20H,3-7,10H2,1-2H3
InChIKeyYDAQVJHSSZTEDU-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.63
Rot. Bonds5

About 1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine

1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine (PubChem CID 86809048) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
PubChem CID86809048
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
SMILESCC(CN1CCCCC1)NC(C)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H23F3N2/c1-11(10-21-6-4-3-5-7-21)20-12(2)13-8-14(17)16(19)15(18)9-13/h8-9,11-12,20H,3-7,10H2,1-2H3
InChIKeyYDAQVJHSSZTEDU-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 83076160
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138
N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675786
2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
CID 115724755
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749141
N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472079
N-[1-(4-nitrophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749027
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-2-amine
CID 29037241
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine (CID 86809048) is 1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine is CC(CN1CCCCC1)NC(C)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine?
The InChIKey is YDAQVJHSSZTEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-11(10-21-6-4-3-5-7-21)20-12(2)13-8-14(17)16(19)15(18)9-13/h8-9,11-12,20H,3-7,10H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine?
1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine has a molecular weight of 300.37 g/mol, XLogP of 3.63, 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-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 86809048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).