1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine

C14H20F2N2 — CID 84748274

IUPAC1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine
SMILESCC(N)(Cc1ccc(F)c(F)c1)N1CCCCC1
InChIInChI=1S/C14H20F2N2/c1-14(17,18-7-3-2-4-8-18)10-11-5-6-12(15)13(16)9-11/h5-6,9H,2-4,7-8,10,17H2,1H3
InChIKeyIFARBUWKMAYVDY-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.67
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine

1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine (PubChem CID 84748274) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine
PubChem CID84748274
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine
SMILESCC(N)(Cc1ccc(F)c(F)c1)N1CCCCC1
InChIInChI=1S/C14H20F2N2/c1-14(17,18-7-3-2-4-8-18)10-11-5-6-12(15)13(16)9-11/h5-6,9H,2-4,7-8,10,17H2,1H3
InChIKeyIFARBUWKMAYVDY-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine (CID 84748274) is 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine is CC(N)(Cc1ccc(F)c(F)c1)N1CCCCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine?
The InChIKey is IFARBUWKMAYVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-14(17,18-7-3-2-4-8-18)10-11-5-6-12(15)13(16)9-11/h5-6,9H,2-4,7-8,10,17H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine?
1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine has a molecular weight of 254.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 84748274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).