6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine

C19H24F2N4 — CID 114074043

IUPAC6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
SMILESCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c(F)cc1F
InChIInChI=1S/C19H24F2N4/c1-2-22-18-16(20)12-17(21)19(24-18)23-15-8-10-25(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H2,22,23,24)
InChIKeyKUUNCJHSIOMYKX-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.87
Rot. Bonds6

About 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine

6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine (PubChem CID 114074043) has the molecular formula C19H24F2N4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
PubChem CID114074043
Molecular FormulaC19H24F2N4
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
SMILESCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c(F)cc1F
InChIInChI=1S/C19H24F2N4/c1-2-22-18-16(20)12-17(21)19(24-18)23-15-8-10-25(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H2,22,23,24)
InChIKeyKUUNCJHSIOMYKX-UHFFFAOYSA-N
XLogP3.87
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine 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

4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-chloro-5-fluoropyridine-3-carboxylate
CID 86603759
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
CID 21015031
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400801
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
CID 117089717
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine?
The IUPAC name of 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine (CID 114074043) is 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine is CCNc1nc(NC2CCN(Cc3ccccc3)CC2)c(F)cc1F.
What is the InChIKey of 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine?
The InChIKey is KUUNCJHSIOMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4/c1-2-22-18-16(20)12-17(21)19(24-18)23-15-8-10-25(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H2,22,23,24).
What are the key properties of 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine?
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine has a molecular weight of 346.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine is sourced from PubChem (CID 114074043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).