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

C15H22F2N2 — CID 107520774

IUPAC1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(CC(N)c2ccc(F)cc2F)C1C
InChIInChI=1S/C15H22F2N2/c1-10-4-3-7-19(11(10)2)9-15(18)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,15H,3-4,7,9,18H2,1-2H3
InChIKeyHTLCHCOOZQSCFJ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.09
Rot. Bonds3

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

1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (PubChem CID 107520774) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
PubChem CID107520774
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(CC(N)c2ccc(F)cc2F)C1C
InChIInChI=1S/C15H22F2N2/c1-10-4-3-7-19(11(10)2)9-15(18)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,15H,3-4,7,9,18H2,1-2H3
InChIKeyHTLCHCOOZQSCFJ-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperazine
CID 75994
Benzhydrylpiperazine
CID 70048
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1-(3-Fluorobenzyl)piperazine
CID 903813
1-Benzyl-4-methyl-piperazine
CID 763557
1-(4-Fluorobenzyl)piperazine
CID 796563
2-(4-Benzylpiperidin-1-yl)ethan-1-amine
CID 2779831
1-Phenethylpiperazine
CID 79214
1-Benzyl-4-piperidylamine
CID 415852
1-Methyl-3-phenylpiperazine
CID 2760009
1-[4-(Trifluoromethyl)benzyl]piperazine
CID 2782803
N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (CID 107520774) is 1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is CC1CCCN(CC(N)c2ccc(F)cc2F)C1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is HTLCHCOOZQSCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10-4-3-7-19(11(10)2)9-15(18)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,15H,3-4,7,9,18H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 268.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 107520774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).