2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine

C21H26F2N2 — CID 83973668

IUPAC2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCc1ccc(CN2CCC(C(CN)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C21H26F2N2/c1-15-2-4-16(5-3-15)14-25-10-8-17(9-11-25)19(13-24)18-6-7-20(22)21(23)12-18/h2-7,12,17,19H,8-11,13-14,24H2,1H3
InChIKeyKCDMUWWOOZEFNY-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.23
Rot. Bonds5

About 2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine

2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 83973668) has the molecular formula C21H26F2N2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID83973668
Molecular FormulaC21H26F2N2
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCc1ccc(CN2CCC(C(CN)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C21H26F2N2/c1-15-2-4-16(5-3-15)14-25-10-8-17(9-11-25)19(13-24)18-6-7-20(22)21(23)12-18/h2-7,12,17,19H,8-11,13-14,24H2,1H3
InChIKeyKCDMUWWOOZEFNY-UHFFFAOYSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83972711
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
2-(1-benzylpiperidin-4-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 112539179
2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 83973600
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine (CID 83973668) is 2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine is Cc1ccc(CN2CCC(C(CN)c3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is KCDMUWWOOZEFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2/c1-15-2-4-16(5-3-15)14-25-10-8-17(9-11-25)19(13-24)18-6-7-20(22)21(23)12-18/h2-7,12,17,19H,8-11,13-14,24H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 344.45 g/mol, XLogP of 4.23, 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-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 83973668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).