N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine

C27H33F2N3O3 — CID 142818219

IUPACN-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine
SMILESCOc1cc(C2=CC(CN(c3ccc(F)c(F)c3)C3CCNCC3)=CCN2C)cc(OC)c1OC
InChIInChI=1S/C27H33F2N3O3/c1-31-12-9-18(13-24(31)19-14-25(33-2)27(35-4)26(15-19)34-3)17-32(20-7-10-30-11-8-20)21-5-6-22(28)23(29)16-21/h5-6,9,13-16,20,30H,7-8,10-12,17H2,1-4H3
InChIKeyBMQBADWGKUYFOH-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.46
Rot. Bonds8

About N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine

N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine (PubChem CID 142818219) has the molecular formula C27H33F2N3O3 and a molecular weight of 485.58 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine
PubChem CID142818219
Molecular FormulaC27H33F2N3O3
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC NameN-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine
SMILESCOc1cc(C2=CC(CN(c3ccc(F)c(F)c3)C3CCNCC3)=CCN2C)cc(OC)c1OC
InChIInChI=1S/C27H33F2N3O3/c1-31-12-9-18(13-24(31)19-14-25(33-2)27(35-4)26(15-19)34-3)17-32(20-7-10-30-11-8-20)21-5-6-22(28)23(29)16-21/h5-6,9,13-16,20,30H,7-8,10-12,17H2,1-4H3
InChIKeyBMQBADWGKUYFOH-UHFFFAOYSA-N
XLogP4.46
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-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

N-(3,4-difluorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 22558079
N-[4-(trifluoromethoxy)phenyl]-N-[[6-(3,4,5-trimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine
CID 142818355
N-(4-fluorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine
CID 22557922
N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine
CID 142818359
N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 22557804
4-[piperidin-4-yl-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]amino]benzenethiol
CID 70998943
N-phenyl-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 22557951
N-(4-chlorophenyl)-N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906194
1-[2-cyclopropyl-4-[3-[[4-[N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)phenyl]methyl]-3,4-difluoroanilino]piperidin-1-yl]methyl]phenyl]-6-methoxyphenyl]ethanone
CID 142906076
N-(4-bromophenyl)-N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906120
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
N-(4-bromophenyl)-N,1-bis[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine
CID 18174190

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine (CID 142818219) is N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine is COc1cc(C2=CC(CN(c3ccc(F)c(F)c3)C3CCNCC3)=CCN2C)cc(OC)c1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine?
The InChIKey is BMQBADWGKUYFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N3O3/c1-31-12-9-18(13-24(31)19-14-25(33-2)27(35-4)26(15-19)34-3)17-32(20-7-10-30-11-8-20)21-5-6-22(28)23(29)16-21/h5-6,9,13-16,20,30H,7-8,10-12,17H2,1-4H3.
What are the key properties of N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine?
N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine has a molecular weight of 485.58 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 142818219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).