6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine

C27H39F2N5 — CID 143280196

IUPAC6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine
SMILESCCC1CN(c2ncc(NC)cc2C)CCN1C1CCN(Cc2ccc(CC(F)F)cc2)CC1
InChIInChI=1S/C27H39F2N5/c1-4-24-19-33(27-20(2)15-23(30-3)17-31-27)13-14-34(24)25-9-11-32(12-10-25)18-22-7-5-21(6-8-22)16-26(28)29/h5-8,15,17,24-26,30H,4,9-14,16,18-19H2,1-3H3
InChIKeyAUXJUVMRRUTLCF-UHFFFAOYSA-N
MW471.64 g/mol
LogP4.80
Rot. Bonds8

About 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine

6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine (PubChem CID 143280196) has the molecular formula C27H39F2N5 and a molecular weight of 471.64 g/mol. Its IUPAC name is 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine
PubChem CID143280196
Molecular FormulaC27H39F2N5
Molecular Weight471.64 g/mol
Exact Mass471.32
IUPAC Name6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine
SMILESCCC1CN(c2ncc(NC)cc2C)CCN1C1CCN(Cc2ccc(CC(F)F)cc2)CC1
InChIInChI=1S/C27H39F2N5/c1-4-24-19-33(27-20(2)15-23(30-3)17-31-27)13-14-34(24)25-9-11-32(12-10-25)18-22-7-5-21(6-8-22)16-26(28)29/h5-8,15,17,24-26,30H,4,9-14,16,18-19H2,1-3H3
InChIKeyAUXJUVMRRUTLCF-UHFFFAOYSA-N
XLogP4.80
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.64
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridin-3-amine
CID 143280464
N-[6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-5-methyl-3-pyridinyl]methanesulfonamide
CID 143279979
N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 11853954
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
2-[(3S)-3-ethyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-(1H-imidazol-2-yl)-3-methylpyrazine
CID 11997338
5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide;molecular hydrogen
CID 161221227
N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide
CID 143279415
3-N-[5-chloro-6-[3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]-4-N-cyclopropyl-1,2,5-thiadiazole-3,4-diamine
CID 143280232
[6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine
CID 59427716
5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 11997684
5-[[4-[(2S)-4-[3-chloro-5-(1H-imidazol-2-yl)-2-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-1H-indole
CID 59772537
3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
CID 143280991

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine?
The IUPAC name of 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine (CID 143280196) is 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine.
What is the SMILES notation for 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine?
The canonical SMILES for 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine is CCC1CN(c2ncc(NC)cc2C)CCN1C1CCN(Cc2ccc(CC(F)F)cc2)CC1.
What is the InChIKey of 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine?
The InChIKey is AUXJUVMRRUTLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39F2N5/c1-4-24-19-33(27-20(2)15-23(30-3)17-31-27)13-14-34(24)25-9-11-32(12-10-25)18-22-7-5-21(6-8-22)16-26(28)29/h5-8,15,17,24-26,30H,4,9-14,16,18-19H2,1-3H3.
What are the key properties of 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine?
6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine has a molecular weight of 471.64 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[[4-(2,2-difluoroethyl)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,5-dimethylpyridin-3-amine is sourced from PubChem (CID 143280196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).