1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine

C17H26F2N2 — CID 79052030

IUPAC1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCCNC(c1c(F)cccc1F)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H26F2N2/c1-4-20-16(15-13(18)9-8-10-14(15)19)17(2,3)21-11-6-5-7-12-21/h8-10,16,20H,4-7,11-12H2,1-3H3
InChIKeyXYTMMSKVRGRARN-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.88
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine

1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 79052030) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine
PubChem CID79052030
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCCNC(c1c(F)cccc1F)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H26F2N2/c1-4-20-16(15-13(18)9-8-10-14(15)19)17(2,3)21-11-6-5-7-12-21/h8-10,16,20H,4-7,11-12H2,1-3H3
InChIKeyXYTMMSKVRGRARN-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051927
2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
CID 79050582
2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79051539
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899
N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 79044961
N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 116544657
N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
CID 79045109
N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056235
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833059
[1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 105239829
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 79051106

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine (CID 79052030) is 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine is CCNC(c1c(F)cccc1F)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is XYTMMSKVRGRARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-4-20-16(15-13(18)9-8-10-14(15)19)17(2,3)21-11-6-5-7-12-21/h8-10,16,20H,4-7,11-12H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine?
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 296.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 79052030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).