N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride

C43H51Cl2N3O7 — CID 18174133

IUPACN-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
SMILESCOc1cccc(N(Cc2cccc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCN(Cc3cncc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)c1.Cl.Cl
InChIInChI=1S/C43H49N3O7.2ClH/c1-47-37-13-9-12-36(24-37)46(28-29-10-8-11-31(18-29)32-20-38(48-2)42(52-6)39(21-32)49-3)35-14-16-45(17-15-35)27-30-19-34(26-44-25-30)33-22-40(50-4)43(53-7)41(23-33)51-5;;/h8-13,18-26,35H,14-17,27-28H2,1-7H3;2*1H
InChIKeyGBMYJQVYJPLGBM-UHFFFAOYSA-N
MW792.80 g/mol
LogP8.99
Rot. Bonds15

About N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride

N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride (PubChem CID 18174133) has the molecular formula C43H51Cl2N3O7 and a molecular weight of 792.80 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
PubChem CID18174133
Molecular FormulaC43H51Cl2N3O7
Molecular Weight792.80 g/mol
Exact Mass791.31
IUPAC NameN-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
SMILESCOc1cccc(N(Cc2cccc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCN(Cc3cncc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)c1.Cl.Cl
InChIInChI=1S/C43H49N3O7.2ClH/c1-47-37-13-9-12-36(24-37)46(28-29-10-8-11-31(18-29)32-20-38(48-2)42(52-6)39(21-32)49-3)35-14-16-45(17-15-35)27-30-19-34(26-44-25-30)33-22-40(50-4)43(53-7)41(23-33)51-5;;/h8-13,18-26,35H,14-17,27-28H2,1-7H3;2*1H
InChIKeyGBMYJQVYJPLGBM-UHFFFAOYSA-N
XLogP8.99
TPSA83.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.80
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride (CID 18174133) is N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride is COc1cccc(N(Cc2cccc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCN(Cc3cncc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)c1.Cl.Cl.
What is the InChIKey of N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is GBMYJQVYJPLGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N3O7.2ClH/c1-47-37-13-9-12-36(24-37)46(28-29-10-8-11-31(18-29)32-20-38(48-2)42(52-6)39(21-32)49-3)35-14-16-45(17-15-35)27-30-19-34(26-44-25-30)33-22-40(50-4)43(53-7)41(23-33)51-5;;/h8-13,18-26,35H,14-17,27-28H2,1-7H3;2*1H.
What are the key properties of N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride?
N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 792.80 g/mol, XLogP of 8.99, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 18174133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).