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

C29H38N2S — CID 155540348

IUPACN-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESCC(C)c1ccc(-c2cc(CNCC3CCNCC3)sc2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C29H38N2S/c1-20(2)23-5-9-25(10-6-23)28-17-27(19-31-18-22-13-15-30-16-14-22)32-29(28)26-11-7-24(8-12-26)21(3)4/h5-12,17,20-22,30-31H,13-16,18-19H2,1-4H3
InChIKeyUOUIHPZVDAINIH-UHFFFAOYSA-N
MW446.70 g/mol
LogP7.42
Rot. Bonds8

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

N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 155540348) has the molecular formula C29H38N2S and a molecular weight of 446.70 g/mol. Its IUPAC name is N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID155540348
Molecular FormulaC29H38N2S
Molecular Weight446.70 g/mol
Exact Mass446.28
IUPAC NameN-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESCC(C)c1ccc(-c2cc(CNCC3CCNCC3)sc2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C29H38N2S/c1-20(2)23-5-9-25(10-6-23)28-17-27(19-31-18-22-13-15-30-16-14-22)32-29(28)26-11-7-24(8-12-26)21(3)4/h5-12,17,20-22,30-31H,13-16,18-19H2,1-4H3
InChIKeyUOUIHPZVDAINIH-UHFFFAOYSA-N
XLogP7.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.70
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine 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

(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
Cyclohexanamine, N-ethyl-1-[2-thionaphthenyl]-
CID 612323
1-(4,5-Bis(4-(tert-butyl)phenyl)thiophen-2-yl)-N-(piperidin-4-ylmethyl)methanamine
CID 155536635
2-(4-(propan-2-yl)phenyl)-2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 43180384
N'-[1-(1-benzothiophen-2-yl)cyclohexyl]-N-methylpropane-1,3-diamine
CID 398351
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-propyl-amine
CID 10038968
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-(3-methyl-but-2-enyl)-amine
CID 10266775
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-pentyl-amine
CID 10357514
N-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-N''-methyl-butane-1,4-diamine
CID 11723323
N-benzyl-8-[5-[4-(benzylamino)butyl]thiophen-2-yl]octan-1-amine
CID 44424647
1-benzyl-N-[[4-(2,2-dithiophen-2-ylethenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 44532729
2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584689

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine (CID 155540348) is N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine is CC(C)c1ccc(-c2cc(CNCC3CCNCC3)sc2-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is UOUIHPZVDAINIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2S/c1-20(2)23-5-9-25(10-6-23)28-17-27(19-31-18-22-13-15-30-16-14-22)32-29(28)26-11-7-24(8-12-26)21(3)4/h5-12,17,20-22,30-31H,13-16,18-19H2,1-4H3.
What are the key properties of N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine?
N-[[4,5-bis(4-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 446.70 g/mol, XLogP of 7.42, 8 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-propan-2-ylphenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 155540348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).