2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine

C14H20F2N2 — CID 63667059

IUPAC2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCCN1C(CN)c1cccc(F)c1F
InChIInChI=1S/C14H20F2N2/c1-10-5-2-3-8-18(10)13(9-17)11-6-4-7-12(15)14(11)16/h4,6-7,10,13H,2-3,5,8-9,17H2,1H3
InChIKeyBFRHRMQTXBXZFH-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.84
Rot. Bonds3

About 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine

2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine (PubChem CID 63667059) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
PubChem CID63667059
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCCN1C(CN)c1cccc(F)c1F
InChIInChI=1S/C14H20F2N2/c1-10-5-2-3-8-18(10)13(9-17)11-6-4-7-12(15)14(11)16/h4,6-7,10,13H,2-3,5,8-9,17H2,1H3
InChIKeyBFRHRMQTXBXZFH-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine (CID 63667059) is 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine is CC1CCCCN1C(CN)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The InChIKey is BFRHRMQTXBXZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-5-2-3-8-18(10)13(9-17)11-6-4-7-12(15)14(11)16/h4,6-7,10,13H,2-3,5,8-9,17H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 63667059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).