2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine

C34H43N3 — CID 143234084

IUPAC2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine
SMILESC=C(Nc1ccccc1NC(=C)c1ccc(C(C)(C)C)cc1CC1CCN(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C34H43N3/c1-24-12-14-28(15-13-24)25(2)35-32-10-8-9-11-33(32)36-26(3)31-17-16-30(34(4,5)6)23-29(31)22-27-18-20-37(7)21-19-27/h8-17,23,27,35-36H,2-3,18-22H2,1,4-7H3
InChIKeyTYCWCWXUNGNARF-UHFFFAOYSA-N
MW493.74 g/mol
LogP8.34
Rot. Bonds8

About 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine

2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine (PubChem CID 143234084) has the molecular formula C34H43N3 and a molecular weight of 493.74 g/mol. Its IUPAC name is 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine
PubChem CID143234084
Molecular FormulaC34H43N3
Molecular Weight493.74 g/mol
Exact Mass493.35
IUPAC Name2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine
SMILESC=C(Nc1ccccc1NC(=C)c1ccc(C(C)(C)C)cc1CC1CCN(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C34H43N3/c1-24-12-14-28(15-13-24)25(2)35-32-10-8-9-11-33(32)36-26(3)31-17-16-30(34(4,5)6)23-29(31)22-27-18-20-37(7)21-19-27/h8-17,23,27,35-36H,2-3,18-22H2,1,4-7H3
InChIKeyTYCWCWXUNGNARF-UHFFFAOYSA-N
XLogP8.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.74
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 143233960
4-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515840
N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515863
1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 147617765
N-(2-ethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969544
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971504
N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 95969501
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-[[1-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperidin-4-yl]methyl]phenyl]urea
CID 68824210

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine (CID 143234084) is 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine is C=C(Nc1ccccc1NC(=C)c1ccc(C(C)(C)C)cc1CC1CCN(C)CC1)c1ccc(C)cc1.
What is the InChIKey of 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine?
The InChIKey is TYCWCWXUNGNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3/c1-24-12-14-28(15-13-24)25(2)35-32-10-8-9-11-33(32)36-26(3)31-17-16-30(34(4,5)6)23-29(31)22-27-18-20-37(7)21-19-27/h8-17,23,27,35-36H,2-3,18-22H2,1,4-7H3.
What are the key properties of 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine?
2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine has a molecular weight of 493.74 g/mol, XLogP of 8.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1-N-[1-(4-methylphenyl)ethenyl]benzene-1,2-diamine is sourced from PubChem (CID 143234084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).