(4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine

C13H19F2N3 — CID 165400193

IUPAC(4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine
SMILESCCc1ccc(N2CC[C@H](NC)C(F)(F)C2)cn1
InChIInChI=1S/C13H19F2N3/c1-3-10-4-5-11(8-17-10)18-7-6-12(16-2)13(14,15)9-18/h4-5,8,12,16H,3,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyIAEASUMJKCCSLC-LBPRGKRZSA-N
MW255.31 g/mol
LogP2.08
Rot. Bonds3

About (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine

(4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine (PubChem CID 165400193) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name(4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine
PubChem CID165400193
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name(4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine
SMILESCCc1ccc(N2CC[C@H](NC)C(F)(F)C2)cn1
InChIInChI=1S/C13H19F2N3/c1-3-10-4-5-11(8-17-10)18-7-6-12(16-2)13(14,15)9-18/h4-5,8,12,16H,3,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyIAEASUMJKCCSLC-LBPRGKRZSA-N
XLogP2.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-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

ethane;2-ethyl-5-piperidin-1-ylpyridine
CID 144862663
4-(6-ethyl-3-pyridinyl)-2,6-dimethylmorpholine
CID 121264933
7-(6-ethyl-3-pyridinyl)-2,7-diazaspiro[3.5]nonane
CID 129276102
(3R)-1-(6-ethyl-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol
CID 167295536
(2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine
CID 166682724
ethane;6-ethyl-N-methylpyridin-3-amine
CID 142596426
[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine
CID 113320423
5-(4-ethylpiperidin-1-yl)-N,N-dimethylpyridin-2-amine
CID 126717118
1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 115940404
(3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine
CID 139363260
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 103938495
8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane
CID 134341649

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine?
The IUPAC name of (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine (CID 165400193) is (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine.
What is the SMILES notation for (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine?
The canonical SMILES for (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine is CCc1ccc(N2CC[C@H](NC)C(F)(F)C2)cn1.
What is the InChIKey of (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine?
The InChIKey is IAEASUMJKCCSLC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-3-10-4-5-11(8-17-10)18-7-6-12(16-2)13(14,15)9-18/h4-5,8,12,16H,3,6-7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine?
(4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine has a molecular weight of 255.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(6-ethyl-3-pyridinyl)-3,3-difluoro-N-methylpiperidin-4-amine is sourced from PubChem (CID 165400193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).