N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine

C30H40N2S — CID 155523600

IUPACN-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine
SMILESCC(C)(C)c1ccc(-c2cc(CNC3CCNCC3)sc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H40N2S/c1-29(2,3)23-11-7-21(8-12-23)27-19-26(20-32-25-15-17-31-18-16-25)33-28(27)22-9-13-24(14-10-22)30(4,5)6/h7-14,19,25,31-32H,15-18,20H2,1-6H3
InChIKeyHVEHXIPAOUDSBK-UHFFFAOYSA-N
MW460.73 g/mol
LogP7.52
Rot. Bonds5

About N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine

N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine (PubChem CID 155523600) has the molecular formula C30H40N2S and a molecular weight of 460.73 g/mol. Its IUPAC name is N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine
PubChem CID155523600
Molecular FormulaC30H40N2S
Molecular Weight460.73 g/mol
Exact Mass460.29
IUPAC NameN-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine
SMILESCC(C)(C)c1ccc(-c2cc(CNC3CCNCC3)sc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H40N2S/c1-29(2,3)23-11-7-21(8-12-23)27-19-26(20-32-25-15-17-31-18-16-25)33-28(27)22-9-13-24(14-10-22)30(4,5)6/h7-14,19,25,31-32H,15-18,20H2,1-6H3
InChIKeyHVEHXIPAOUDSBK-UHFFFAOYSA-N
XLogP7.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.73
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine (CID 155523600) is N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine is CC(C)(C)c1ccc(-c2cc(CNC3CCNCC3)sc2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine?
The InChIKey is HVEHXIPAOUDSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2S/c1-29(2,3)23-11-7-21(8-12-23)27-19-26(20-32-25-15-17-31-18-16-25)33-28(27)22-9-13-24(14-10-22)30(4,5)6/h7-14,19,25,31-32H,15-18,20H2,1-6H3.
What are the key properties of N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine?
N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine has a molecular weight of 460.73 g/mol, XLogP of 7.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(4-tert-butylphenyl)thiophen-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 155523600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).