6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine

C26H38FN5 — CID 143280464

IUPAC6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine
SMILESCCC1CN(c2ncc(NC)cc2C)CCN1C1CCN(Cc2ccc(C)cc2F)CC1
InChIInChI=1S/C26H38FN5/c1-5-23-18-31(26-20(3)15-22(28-4)16-29-26)12-13-32(23)24-8-10-30(11-9-24)17-21-7-6-19(2)14-25(21)27/h6-7,14-16,23-24,28H,5,8-13,17-18H2,1-4H3
InChIKeyZMPRPDMVOCISJJ-UHFFFAOYSA-N
MW439.62 g/mol
LogP4.44
Rot. Bonds6

About 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine

6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine (PubChem CID 143280464) has the molecular formula C26H38FN5 and a molecular weight of 439.62 g/mol. Its IUPAC name is 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine
PubChem CID143280464
Molecular FormulaC26H38FN5
Molecular Weight439.62 g/mol
Exact Mass439.31
IUPAC Name6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine
SMILESCCC1CN(c2ncc(NC)cc2C)CCN1C1CCN(Cc2ccc(C)cc2F)CC1
InChIInChI=1S/C26H38FN5/c1-5-23-18-31(26-20(3)15-22(28-4)16-29-26)12-13-32(23)24-8-10-30(11-9-24)17-21-7-6-19(2)14-25(21)27/h6-7,14-16,23-24,28H,5,8-13,17-18H2,1-4H3
InChIKeyZMPRPDMVOCISJJ-UHFFFAOYSA-N
XLogP4.44
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.62
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine with MolForge

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Related Compounds

3-(cyclopropylamino)-4-[[6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-3-pyridinyl]amino]cyclobut-3-ene-1,2-dione
CID 163547765
N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide
CID 143279415
6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine
CID 143280196
N-[6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-5-methyl-3-pyridinyl]methanesulfonamide
CID 143279979
4-[3-chloro-5-(2,3-dihydropyrrol-1-yl)-2-pyridinyl]-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-2-ethylpiperazine
CID 70995741
(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-(3-chloro-5-pyrrol-1-yl-2-pyridinyl)-2-ethylpiperazine
CID 11856593
5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyridine-3-carbohydrazide
CID 59427698
3-[[5-chloro-6-[4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]amino]-2-(ethylamino)-4-hydroxycyclobut-2-en-1-one
CID 143280452
5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 59427495
N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 11853954
3-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135407951
1-tert-butyl-3-[[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methyl]urea
CID 59427570

Frequently Asked Questions

What is the IUPAC name of 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine?
The IUPAC name of 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine (CID 143280464) is 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine.
What is the SMILES notation for 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine?
The canonical SMILES for 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine is CCC1CN(c2ncc(NC)cc2C)CCN1C1CCN(Cc2ccc(C)cc2F)CC1.
What is the InChIKey of 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine?
The InChIKey is ZMPRPDMVOCISJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FN5/c1-5-23-18-31(26-20(3)15-22(28-4)16-29-26)12-13-32(23)24-8-10-30(11-9-24)17-21-7-6-19(2)14-25(21)27/h6-7,14-16,23-24,28H,5,8-13,17-18H2,1-4H3.
What are the key properties of 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine?
6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine has a molecular weight of 439.62 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine is sourced from PubChem (CID 143280464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).