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

C15H21F3N2 — CID 63051224

IUPAC2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCC(CNCc1cc(F)c(F)c(F)c1)N1CCCCC1
InChIInChI=1S/C15H21F3N2/c1-11(20-5-3-2-4-6-20)9-19-10-12-7-13(16)15(18)14(17)8-12/h7-8,11,19H,2-6,9-10H2,1H3
InChIKeyHBQRSBCKXADNCN-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.07
Rot. Bonds5

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

2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine (PubChem CID 63051224) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
PubChem CID63051224
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCC(CNCc1cc(F)c(F)c(F)c1)N1CCCCC1
InChIInChI=1S/C15H21F3N2/c1-11(20-5-3-2-4-6-20)9-19-10-12-7-13(16)15(18)14(17)8-12/h7-8,11,19H,2-6,9-10H2,1H3
InChIKeyHBQRSBCKXADNCN-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine?
The IUPAC name of 2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine (CID 63051224) is 2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine?
The canonical SMILES for 2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine is CC(CNCc1cc(F)c(F)c(F)c1)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine?
The InChIKey is HBQRSBCKXADNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11(20-5-3-2-4-6-20)9-19-10-12-7-13(16)15(18)14(17)8-12/h7-8,11,19H,2-6,9-10H2,1H3.
What are the key properties of 2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine?
2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine has a molecular weight of 286.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 63051224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).