N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine

C37H38N2O2S — CID 155534723

IUPACN-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESCOc1ccc(-c2ccc(-c3cc(CNCC4CCNCC4)sc3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H38N2O2S/c1-40-33-15-11-29(12-16-33)27-3-7-31(8-4-27)36-23-35(25-39-24-26-19-21-38-22-20-26)42-37(36)32-9-5-28(6-10-32)30-13-17-34(41-2)18-14-30/h3-18,23,26,38-39H,19-22,24-25H2,1-2H3
InChIKeyGRRZEANMEXRFAJ-UHFFFAOYSA-N
MW574.79 g/mol
LogP8.52
Rot. Bonds10

About N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine

N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 155534723) has the molecular formula C37H38N2O2S and a molecular weight of 574.79 g/mol. Its IUPAC name is N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID155534723
Molecular FormulaC37H38N2O2S
Molecular Weight574.79 g/mol
Exact Mass574.27
IUPAC NameN-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESCOc1ccc(-c2ccc(-c3cc(CNCC4CCNCC4)sc3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H38N2O2S/c1-40-33-15-11-29(12-16-33)27-3-7-31(8-4-27)36-23-35(25-39-24-26-19-21-38-22-20-26)42-37(36)32-9-5-28(6-10-32)30-13-17-34(41-2)18-14-30/h3-18,23,26,38-39H,19-22,24-25H2,1-2H3
InChIKeyGRRZEANMEXRFAJ-UHFFFAOYSA-N
XLogP8.52
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.79
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10714695
4,5-Bis(4'-methoxy-[1,1'-biphenyl]-4-yl)-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
CID 155559876
1-(4,5-Bis(3,4-dimethoxyphenyl)thiophen-2-yl)-N-(piperidin-4-ylmethyl)methanamine
CID 155556860
1-Benzyl-4-(3-methoxy-phenyl)-4-(4-thiophen-2-yl-phenyl)-piperidine
CID 22729934
3-(4-methoxyphenyl)-N-[1-(2-thienyl)ethyl]-3-(4-fluorophenyl)-1-propanamine
CID 3400322
5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine
CID 160589959
[(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 2043186
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 2043187
[(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1R)-1-thiophen-2-ylethyl]azanium
CID 2043188
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 2043189
[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 2043190
(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 2043191

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine (CID 155534723) is N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine is COc1ccc(-c2ccc(-c3cc(CNCC4CCNCC4)sc3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is GRRZEANMEXRFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O2S/c1-40-33-15-11-29(12-16-33)27-3-7-31(8-4-27)36-23-35(25-39-24-26-19-21-38-22-20-26)42-37(36)32-9-5-28(6-10-32)30-13-17-34(41-2)18-14-30/h3-18,23,26,38-39H,19-22,24-25H2,1-2H3.
What are the key properties of N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine?
N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 574.79 g/mol, XLogP of 8.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 155534723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).