2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine

C16H24F2N2 — CID 83986705

IUPAC2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
SMILESCCCN1CCCCC1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-2-8-20-9-4-3-5-16(20)13(11-19)12-6-7-14(17)15(18)10-12/h6-7,10,13,16H,2-5,8-9,11,19H2,1H3
InChIKeyXMNJXDNKKHOFFK-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.27
Rot. Bonds5

About 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine

2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine (PubChem CID 83986705) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
PubChem CID83986705
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
SMILESCCCN1CCCCC1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-2-8-20-9-4-3-5-16(20)13(11-19)12-6-7-14(17)15(18)10-12/h6-7,10,13,16H,2-5,8-9,11,19H2,1H3
InChIKeyXMNJXDNKKHOFFK-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986706
2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986396
2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83987062
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
2-(1-ethylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986506
2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053569
4-[2-amino-1-(1-ethylpiperidin-2-yl)ethyl]phenol
CID 83987243
2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
CID 83986798
2-(3,4-dimethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986310
4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
CID 83987245
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
CID 95303642

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine (CID 83986705) is 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine is CCCN1CCCCC1C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
The InChIKey is XMNJXDNKKHOFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-2-8-20-9-4-3-5-16(20)13(11-19)12-6-7-14(17)15(18)10-12/h6-7,10,13,16H,2-5,8-9,11,19H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 83986705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).