N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine

C47H55FN2O4 — CID 142906090

IUPACN,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine
SMILESCCCc1cc(-c2cccc(CN3CCC(N(Cc4cccc(-c5cc(CCC)c(OC)c(OC)c5)c4)c4ccc(F)cc4)CC3)c2)cc(OC)c1OC
InChIInChI=1S/C47H55FN2O4/c1-7-11-37-27-39(29-44(51-3)46(37)53-5)35-15-9-13-33(25-35)31-49-23-21-43(22-24-49)50(42-19-17-41(48)18-20-42)32-34-14-10-16-36(26-34)40-28-38(12-8-2)47(54-6)45(30-40)52-4/h9-10,13-20,25-30,43H,7-8,11-12,21-24,31-32H2,1-6H3
InChIKeyGCMBICUYXZHLBR-UHFFFAOYSA-N
MW730.96 g/mol
LogP10.77
Rot. Bonds16

About N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine

N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine (PubChem CID 142906090) has the molecular formula C47H55FN2O4 and a molecular weight of 730.96 g/mol. Its IUPAC name is N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine
PubChem CID142906090
Molecular FormulaC47H55FN2O4
Molecular Weight730.96 g/mol
Exact Mass730.41
IUPAC NameN,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine
SMILESCCCc1cc(-c2cccc(CN3CCC(N(Cc4cccc(-c5cc(CCC)c(OC)c(OC)c5)c4)c4ccc(F)cc4)CC3)c2)cc(OC)c1OC
InChIInChI=1S/C47H55FN2O4/c1-7-11-37-27-39(29-44(51-3)46(37)53-5)35-15-9-13-33(25-35)31-49-23-21-43(22-24-49)50(42-19-17-41(48)18-20-42)32-34-14-10-16-36(26-34)40-28-38(12-8-2)47(54-6)45(30-40)52-4/h9-10,13-20,25-30,43H,7-8,11-12,21-24,31-32H2,1-6H3
InChIKeyGCMBICUYXZHLBR-UHFFFAOYSA-N
XLogP10.77
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.96
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-N,1-bis[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine
CID 18174190
N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142905993
N-(4-fluorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine
CID 22557922
N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 142906018
N-(4-methoxyphenyl)-1-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174095
N-(4-chlorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174152
N-(4-methylsulfanylphenyl)-1-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 70024438
4-[4-[(N-[1-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)phenyl]methyl]piperidin-4-yl]-3,4-difluoroanilino)methyl]-2-pyridinyl]-2-methyl-6-propylphenol
CID 142818215
N-(4-methylsulfonylphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 20765920
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-(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
5-[3-[(4-bromo-N-[1-[[3-(3-ethenyl-5-methoxyphenyl)phenyl]methyl]piperidin-4-yl]anilino)methyl]phenyl]-3-propylbenzene-1,2-diol
CID 142818324

Frequently Asked Questions

What is the IUPAC name of N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine?
The IUPAC name of N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine (CID 142906090) is N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine?
The canonical SMILES for N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine is CCCc1cc(-c2cccc(CN3CCC(N(Cc4cccc(-c5cc(CCC)c(OC)c(OC)c5)c4)c4ccc(F)cc4)CC3)c2)cc(OC)c1OC.
What is the InChIKey of N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine?
The InChIKey is GCMBICUYXZHLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55FN2O4/c1-7-11-37-27-39(29-44(51-3)46(37)53-5)35-15-9-13-33(25-35)31-49-23-21-43(22-24-49)50(42-19-17-41(48)18-20-42)32-34-14-10-16-36(26-34)40-28-38(12-8-2)47(54-6)45(30-40)52-4/h9-10,13-20,25-30,43H,7-8,11-12,21-24,31-32H2,1-6H3.
What are the key properties of N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine?
N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine has a molecular weight of 730.96 g/mol, XLogP of 10.77, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 142906090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).